論文発表リスト
1. T. Wadayama, H. Mizuseki, and A. Hatta
In Situ Observation of Chemical Vapour-Deposited Titanium Oxide Films by Double-Modulation Infrared Emission Spectromery
Vib. Spectrosc., 2 (1991) 239-244. https://doi.org/10.1016/0924-2031(91)85031-H
2. K. Shibata, H. Mizuseki, J. L. Finney, and K. Suzuki
Correlated Atomic Motions in Pd79Si21 Alloy Glass Observed by Inelastic Pulsed Neutron Scattering
J. Non-Cryst. Solids, 150 (1992) 251-254. https://doi.org/10.1016/0022-3093(92)90131-3
3. K. Suzuki, K. Shibata, and H. Mizuseki
The Medium- and Short-Range Collective Atomic Motion in Pd-Si(Ge) Amorphous Alloys
J. Non-Cryst. Solids, 156-158 (1993) 58-62. https://doi.org/10.1016/0022-3093(93)90129-L
4. H. Mizuseki, K. Shibata, and K. Suzuki
An Interpretation of the Low Energy Excitations on Pd79Ge21 Alloy Glass within the Soft-Potential Model
Physica B, 213&214 (1995) 538-540. https://doi.org/10.1016/0921-4526(95)00204-M
5. T. Otomo, M. Arai, K. Shibata, H. Mizuseki, and K. Suzuki
An Observation of the Structural Relaxation of a Ni40Pd40P20 Amorphous Alloy
by Neutron Inelastic Scattering
Physica B, 213&214 (1995) 544-546. https://doi.org/10.1016/0921-4526(95)00206-O
6. K. Shibata, H. Mizuseki, A.-P. Tsai, and K. Suzuki
Dynamical Properties of Icosahedral Quasicrystal and Glassy Al77Cu13V10:
A Comparative Study by Inelastic Neutron Scattering
Physica B, 213&214 (1995) 573-575. https://doi.org/10.1016/0921-4526(95)00215-U
7. H. Mizuseki, M. Ishihara, X. Hu, Y. Kawazoe, and N. Ohta
Magnetic Multi-Valued Recording by New Magnetic Configurations
in 2D and 3D Artificial Lattices
IEEE Trans. Magn., 32 (1996) 4335-4337. https://doi.org/10.1109/20.538861
8. H. Mizuseki, M. Ishihara, X. Hu, and Y. Kawazoe
Ultra-high Density Magnetic Recording Media Using 2D and 3D Magnetic Anisotropic Artificial Lattices
Sci. Rep. RITU, A41 (1996) 149-152. CiNii
9. H. Mizuseki, M. Ishihara, X. Hu, Y. Hashi, and Y. Kawazoe
Spin-Reorientation Transition in Superlattices by Large Scale Dynamic Simulation
Mater. Trans., JIM, 37 (1996) 478-481. https://doi.org/10.2320/matertrans1989.37.478
10. H. Mizuseki, K. Tanaka, K. Ohno, and Y. Kawazoe
A New Model for Crystal Growth under High Magnetic Field
-Effect of Environment in Diffusion-Limited Aggregation-
Sci. Rep. RITU, A43 (1997) 55-59. CiNii
11. R. Sahara, H. Mizuseki, K. Ohno, S. Uda, T. Fukuda, and Y. Kawazoe
A Monte Carlo Simulation Describing Melting Transition of Si-Type Structure in the
Condensed Phase with BCC Lattice Model Including Many-Body Interactions
Sci. Rep. RITU, A43 (1997) 23-28. CiNii
12. M. Ishihara, H. Mizuseki, Y. Kawazoe, and N. Ohta
A Recording Process Simulation for Double-Layered Magneto-Optical Disk
IEEE Trans. Magn., 33 (1997) 4149-4151. https://doi.org/10.1109/INTMAG.1997.597700
13. Y. Kawazoe, Z.-Q. Li, J.-Z. Yu, H. Mizuseki, M. Ishihara, K. Tanaka, Y. Hashi, and N. Ohta
Unique Magnetic Properties of Microclusters and Their Application to Multi-Valued Magnetic Recording Media
J. Korean Phys. Soc., 31 (1997) 482-485. WWW
14. H. Mizuseki, K. Tanaka, K. Kikuchi, K. Ohno, and Y. Kawazoe
A New Model of DLA under High Magnetic Field
Comput. Mater. Sci., 10 (1998) 46-50. https://doi.org/10.1016/S0927-0256(97)00142-0
15. H. Mizuseki, K. Kikuchi, K. Tanaka, M. Ishihara, and Y. Kawazoe
Modelling of Magnetic Multivalued Recording in Granular Materials
Jpn. J. Appl. Phys., 37 (1998) 2155-2158. https://doi.org/10.1143/JJAP.37.2155
16. Z. Zeng, H. Mizuseki, K. Ichinoseki, Y. Kawazoe, and K. Higashino
Numerical Study of Dynamic Behavior of Melting Sample in Shear Cell under Microgravity
Numerical Heat Transfer A, 34 (1998) 709-718. https://doi.org/10.1080/10407789808914011
17. Z. Zeng, H. Mizuseki, K. Higashino, and Y. Kawazoe
Direct Numerical Simulation of Oscillatory Marangoni Convection in Cylindrical Liquid Bridges
J. Cryst. Growth, 204 (1999) 395-404. https://doi.org/10.1016/S0022-0248(99)00207-9
18. R. Sahara, H. Mizuseki, K. Ohno, S. Uda, T. Fukuda, and Y. Kawazoe
Body-Centered-Cubic Lattice Model with Many-Body Interactions Representing the Melting Transition in Si
J. Chem. Phys., 110 (1999) 9608-9617. https://doi.org/10.1063/1.478926
19. H. Ichikawa, R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
Monte Carlo Simulation of Cu-Au Alloys on FCC Lattice with a Renormalized Potential
Mater. Trans., JIM, 40 (1999) 911-914. https://doi.org/10.2320/matertrans1989.40.911
20. R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
Site-Percolation Models Including Heterogeneous Particles on a Square Lattice
Mater. Trans., JIM, 40 (1999) 1314-1318. https://doi.org/10.2320/matertrans1989.40.1314
21. M. Ishihara, H. Mizuseki, K. Ohno, and Y. Kawazoe
Multi-Valued Magnetic Recording Materials Predicted by Self-Organized Magnetization Dynamics
Mater. Trans., JIM, 40 (1999) 1319-1322. https://doi.org/10.2320/matertrans1989.40.1319
22. Z. Zeng, H. Mizuseki, K. Ichinoseki, K. Higashino, and Y. Kawazoe
Marangoni Convection in Half-Zone Liquid Bridge
Mater. Trans., JIM, 40 (1999) 1331-1336. https://doi.org/10.2320/matertrans1989.40.1331
23. H. Mizuseki and Y. Kawazoe
Simulation of Crystal Growth in Solution by Hybrid Modeling
Mater. Trans., JIM, 40 (1999) 1337-1341. https://doi.org/10.2320/matertrans1989.40.1337
24. Z. Zeng, H. Mizuseki, K. Ichinoseki, Y. Kawazoe, and K. Higashino
Numerical Simulation of Convection Depth in Shear Cell under Microgravity
Adv. Space Res., 24 (1999) 1321-1324. https://doi.org/10.1016/S0273-1177(99)00740-1
25. R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
Weak Universality of a Site-percolation Model with Two Different Sizes of Particles on a Square Lattice
J. Phys. Soc. Jpn., 68 (1999) 3755-3758. https://doi.org/10.1143/JPSJ.68.3755
26. H. Mizuseki, K. Tanaka, K. Ohno, and Y. Kawazoe
A New Crystal Growth Model based on a Stochastic Method under an External Field
Modell. Simul. Mater. Sci. Eng., 8 (2000) 1-11. https://doi.org/10.1088/0965-0393/8/1/301
27. H. Mizuseki and Y. Kawazoe
Simulation of Electrochemical Deposition Process by a Multiparticle Diffusive Aggregation Model
J. Appl. Phys., 87 (2000) 4611-4616. https://doi.org/10.1063/1.373110
28. H. Mizuseki, Y. Jin, Y. Kawazoe, and L. T. Wille
Growth Processes of Magnetic Clusters Studied by Direct Simulation Monte Carlo Method
J. Appl. Phys., 87 (2000) 6561-6563. https://doi.org/10.1063/1.372770
29. Z. Zeng, H. Mizuseki, K. Shimamura, T. Fukuda, Y. Kawazoe, and K. Higashino
Three-Dimensional Oscillatory Thermocapillary Convection in Liquid Bridge under Microgravity
International Journal of Heat and Mass Transfer, 44 (2001) 3765-3774. https://doi.org/10.1016/S0017-9310(01)00012-6
30. Z. Zeng, H. Mizuseki, K. Shimamura, K. Higashino, T. Fukuda, and Y. Kawazoe
Marangoni Convection in Model of Floating Zone under Microgravity
J. Cryst. Growth, 229 (2001) 601-604. https://doi.org/10.1016/S0022-0248(01)01236-2
31. R. Sahara, H. Mizuseki, K. Ohno, H. Kubo, and Y. Kawazoe
Lattice Monte Carlo Simulation with a Renormalized Potential in Si
J. Cryst. Growth, 229 (2001) 610-614. https://doi.org/10.1016/S0022-0248(01)01238-6
32. H. Mizuseki, K. Hongo, Y. Kawazoe, and L. T. Wille
Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo Method
Scripta Mater., 44 (2001) 1911-1914. https://doi.org/10.1016/S0927-0256(02)00168-4
33. K. Hongo, H. Mizuseki, and Y. Kawazoe
A Monte Carlo Simulation on the Process of Cluster Deposition
Mater. Trans., 42 (2001) 439-442. https://doi.org/10.2320/matertrans.42.439
34. H. Mizuseki, Y. Jin, Y. Kawazoe, and L. T. Wille
Cluster Growth Process by Direct Simulation Monte Carlo Method
Appl. Phys. A, 73 (2001) 731-735. https://doi.org/10.1007/s003390100911
35. Y. Jin, H. Mizuseki, and Y. Kawazoe
Direct Simulation Monte Carlo for Cluster Growth Process in Rarefied Gas
Mater. Trans., 42 (2001) 2295-2298. https://doi.org/10.2320/matertrans.42.2295
36. Z. Zeng, H. Mizuseki, K. Higashino, K. Shimamura, T. Fukuda, and Y. Kawazoe
Structure Similarity of Mixed Buoyancy-Thermocapillary Flow in Half-Zone Liquid Bridge
Mater. Trans., 42 (2001) 2322-2331. https://doi.org/10.2320/matertrans.42.2322
37. J.-Q. Lu, H. Chen, J. Wu, H. Mizuseki, and Y. Kawazoe
Ab Initio Modeling of Real Molecular Logic Devices
Mater. Trans., 42 (2001) 2270-2275. https://doi.org/10.2320/matertrans.42.2270
38. C. Majumder, H. Mizuseki, and Y. Kawazoe
Bipyridinium Molecular Switch: Ab-initio Electronic Structure Calculation
Mater. Trans., 42 (2001) 2276-2278. https://doi.org/10.2320/matertrans.42.2276
39. C. Majumder, H. Mizuseki, and Y. Kawazoe
Molecular Scale Rectifier: Theoretical Study
J. Phys. Chem. A, 105 (2001) 9454-9459. https://doi.org/10.1021/jp011888w
40. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
Small Clusters of Tin: Atomic Structure, Energetics, and Fragmentation Behavior
Phys. Rev. B, 64 (2001) 233405. https://doi.org/10.1103/PhysRevB.64.233405
41. K. Hongo, H. Mizuseki, Y. Kawazoe, and L. T. Wille
Hybrid Model Simulation of the Cluster Deposition Process
J. Cryst. Growth, 236 (2002) 429-433. https://doi.org/10.1016/S0022-0248(01)02106-6
42. Z. Zeng, H. Mizuseki, K. Shimamura, T. Fukuda, Y. Kawazoe, and K. Higashino
Usefulness of Experiments with Model Fluid for Thermocapillary Convection
-Effect of Prandtl Number on Two-dimensional Thermocapillary Convection
J. Cryst. Growth, 234 (2002) 272-278. https://doi.org/10.1016/S0022-0248(01)01700-6
43. R. V. Belosludov, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
Theoretical Study on Inclusion Complex of Polyaniline Covered by Cyclodextrins for Molecular Device
Jpn. J. Appl. Phys., 41 (2002) 2739-2741. https://doi.org/10.1143/JJAP.41.2739
44. C. Majumder, H. Mizuseki, and Y. Kawazoe
Theoretical Analysis for a Molecular Resonant Tunneling Diode
Jpn. J. Appl. Phys., 41 (2002) 2770-2773. https://doi.org/10.1143/JJAP.41.2770
45. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
Ionization Potentials of Small Tin Clusters: First Principles Calculations
Chem. Phys. Lett., 356 (2002) 36-42. https://doi.org/10.1016/S0009-2614(02)00333-0
46. T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, D. A. Pawlak, K. Shimamura, and T. Fukuda
Band Structures of Perovskite-Like Fluorides for Vacuum-Ultraviolet-Transparent Lens Materials
Jpn. J. Appl. Phys., 41 (2002) L365-L367. https://doi.org/10.1143/JJAP.41.L365
47. H. Mizuseki, K. Hongo, Y. Kawazoe, and L. T. Wille
Multiscale Simulation of Cluster Growth and Deposition Processes by Hybrid Model based on Direct Simulation Monte Carlo Method
Comput. Mater. Sci., 24 (2002) 88-92. https://doi.org/10.1016/S0927-0256(02)00168-4
48. A. A. Farajian, K. Esfarjani, H. Mizuseki, and Y. Kawazoe
Electron-interaction Effects on Transport Characteristics of Nanotubes
Physica B, 323 (2002) 242-243. https://doi.org/10.1016/S0921-4526(02)00978-X
49. C. Majumder, T. M. Briere, H. Mizuseki, and Y. Kawazoe
Structural Investigation of Thiophene Thiol Adsorption on Au-nanocluster: Influence of Back Bonds
J. Chem. Phys., 117 (2002) 2819-2822. https://doi.org/10.1063/1.1491404
50. C. Majumder, T. M. Briere, H. Mizuseki, and Y. Kawazoe
Molecular Resistance in a Molecular Diode: A Case Study of the Substituted Phenylethynyl Oligomer
J. Phys. Chem. A, 106 (2002) 7911-7914. https://doi.org/10.1021/jp0258560
51. Y. Tai, J. Murakami, C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
Fragmentation of Small Tin Cluster Ions (Snx+:x=4-20) in the Low-Energy Collisions with a Highly Oriented Pyrolytic Graphite Surface
J. Chem. Phys., 117 (2002) 4317-4322. https://doi.org/10.1063/1.1287658
52. C. Majumder, T. M. Briere, H. Mizuseki, and Y. Kawazoe
Interactions of a Conjugated Molecular Diode with Small Metal Clusters of Cu, Ag, and Au: First-principles Calculations
J. Chem. Phys., 117 (2002) 7669-7675. https://doi.org/10.1063/1.1509053
53. H. Chen, J.-Q. Lu, J. Wu, R. Note, H. Mizuseki, and Y. Kawazoe
Control of Substituent Ligand over Current through Molecular Devices: An Ab Initio Molecular Orbital Theory
Phys. Rev. B, 67 (2003) 113408. https://doi.org/10.1103/PhysRevB.67.113408
54. G.-H. Jeong, A. A. Farajian, T. Hirata, R. Hatakeyama, K. Tohji, T. M. Briere, H. Mizuseki, and Y. Kawazoe
Encapsulation of Cesium Inside Single-Walled Carbon Nanotubes by Plasma-ion Irradiation Method
Thin Solid Films, 435 (2003) 307-311. https://doi.org/10.1016/S0040-6090(03)00337-7
55. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Electronic Transport through Benzene Molecule: Effect of Gold Contacts
Physica E, 18 (2003) 253-254. https://doi.org/10.1016/S1386-9477(02)01005-6
56. H. Mizuseki, K. Niimura, C. Majumder, and Y. Kawazoe
Theoretical Study of the Alkyl Derivative C37H50N4O4 Molecule
for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
Comput. Mater. Sci., 27 (2003) 161-165. https://doi.org/10.1016/S0927-0256(02)00440-8
57. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of Phthalocyanine - Fullerene Complex for a High Efficiency Photovoltaic Device Using Ab-Initio Electronic Structure Calculation
Synthetic Metals, 138 (2003) 281-283. https://doi.org/10.1016/S0379-6779(02)01289-4
58. R. V. Belosludov, H. Sato, A. A. Farajian, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
Molecular Enamel Wires for Electronic Devices: Theoretical Study
Jpn. J. Appl. Phys., 42 (2003) 2492-2494. https://doi.org/10.1143/JJAP.42.2492
59. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of Chlorin-Fullerene Supramolecular Complexes for Photovoltaic Devices
Jpn. J. Appl. Phys., 42 (2003) 2503-2505. https://doi.org/10.1143/JJAP.42.2503
60. Z. Zeng, J.-Q. Chen, H. Mizuseki, K. Shimamura, T. Fukuda, and Y. Kawazoe
Three-dimensional Oscillatory Convection of LiCaAlF6 Melts in Czochralski Crystal Growth
J. Cryst. Growth, 252 (2003) 538-549. https://doi.org/10.1016/S0022-0248(03)00949-7
61. R. V. Belosludov, H. Sato, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Theoretical Study of Molecular Enamel Wire based on Polythiophene-Cyclodextrin Inclusion Complexes
Mol. Cryst. Liq. Cryst., 406 (2003) 195-204. https://doi.org/10.1080/744818981
62. H. Mizuseki, K. Niimura, C. Majumder, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of Donor - Spacer - Acceptor Structure Molecule for Stable Molecular Rectifier
Mol. Cryst. Liq. Cryst., 406 (2003) 205-211. https://doi.org/10.1080/744818982
63. J.-T. Wang, H. Mizuseki, Y. Kawazoe, T. Hashizume, M. Naitoh, D.-S. Wang, and E.-G. Wang
Stability of Sb Line Structures on Si(001)
Phys. Rev. B, 67 (2003) 193307. https://doi.org/10.1103/PhysRevB.67.193307
64. R. V. Belosludov, H. Sato, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Theoretical Study of Insulated Wires based on Polymer Chains Encapsulated in Molecular Nanotubes
Thin Solid Films, 438-439 (2003) 80-84.https://doi.org/10.1016/S0040-6090(03)00769-7
65. H. Mizuseki, N. Igarashi, C. Majumder, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of a Donor - Spacer - Acceptor Structure Molecule for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
Thin Solid Films, 438-439 (2003) 235-237. https://doi.org/10.1016/S0040-6090(03)00782-X
66. A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe
Electronic Transport through Bent Carbon Nanotubes: Nanoelectromechanical Sensors and Switches
Phys. Rev. B, 67 (2003) 205423. https://doi.org/10.1103/PhysRevB.67.205423
67. C. Majumder, H. Mizuseki, and Y. Kawazoe
Thiophene Thiol on the Au(111) Surface: Size-Dependent Adsorption Study
J. Chem. Phys., 118 (2003) 9809-9813. https://doi.org/10.1063/1.1560137
68. T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, D. A. Pawlak, K. Shimamura, N. Ichinose, and T. Fukuda
Ab Initio Study of Divalent 3d Transition Metal Impurities in KMgF3 and BaLiF3
Jpn. J. Appl. Phys., 42 (2003) 5082-5085.https://doi.org/10.1143/JJAP.42.5082
69. G.-H. Jeong, A. A. Farajian, R. Hatakeyama, T. Hirata, T. Yaguchi, K. Tohji, H. Mizuseki, and Y. Kawazoe
Cesium Encapsulation in Single-walled Carbon Nanotubes via Plasma Ion Irradiation: Application to Junction Formation and Ab Initio Investigation
Phys. Rev. B, 68 (2003) 075410. https://doi.org/10.1103/PhysRevB.68.075410
70. T. Nishimatsu, M. Sluiter, H. Mizuseki, Y. Kawazoe, Y. Sato, M. Miyata, and M. Uehara
Prediction of XPS Spectra of Silicon Self-interstitials with the All-electron Mixed-basis Method
Physics B, 340-342 (2003) 570-574. https://doi.org/10.1016/j.physb.2003.09.133
71. Y. Tai, J. Murakami, C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
Low-energy Surface Collision Induced Dissociation of Ge and Sn Cluster Ions
Euro. Phys. J. D, 24 (2003) 295-298. https://doi.org/10.1140/epjd/e2003-00108-7
72. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Genetic Algorithm Approach to Aromatic Molecules for Nanoscale Device
Mater. Sci. Eng. C, 23 (2003) 807-809. https://doi.org/10.1016/j.msec.2003.09.129
73. Z. Zeng, J.-Q. Chen, H. Mizuseki, T. Fukuda, and Y. Kawazoe
Three-dimensional Unsteady Convection in LiCaAlF6-Czochralski Growth
J. Cryst. Growth, 266 (2004) 81-87. https://doi.org/10.1016/j.jcrysgro.2004.02.086
74. R. V. Belosludov, A. A. Farajian, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
Electron Transport in Molecular Enamel Wires
Jpn. J. Appl. Phys., 43 (2004) 2061-2063. https://doi.org/10.1143/JJAP.43.2061
75. R. Sahara, H. Ichikawa, H. Mizuseki, K. Ohno, H. Kubo, and Y. Kawazoe
Thermodynamic Properties of Cu-Au System using a Face-centered-cubic Lattice Model with a Renormalized Potential
J. Chem. Phys., 120 (2004) 9297-9301. https://doi.org/10.1063/1.1704633
76. S.-Y. Wang, J.-Z. Yu, H. Mizuseki, J.-A. Yan, Y. Kawazoe, and C.-Y. Wang
First-principles Study on the Electronic Structures of Icosahedral TiN (N = 13, 19, 43, 55) Clusters
J. Chem. Phys., 120 (2004) 8463-8468. https://doi.org/10.1063/1.1701769
77. Z. Zeng, J.-Q. Chen, H. Mizuseki, H. Sato, K. Shimamura, K. Ichinoseki, T. Fukuda, and Y. Kawazoe
Numerical Study on LiCaAlF6 Czochralski Crystal Growth
Mater. Trans., 45 (2004) 1515-1521. https://doi.org/10.2320/matertrans.45.1515
78. Z. Zeng, H. Mizuseki, J.-Q. Chen, K. Ichinoseki, and Y. Kawazoe
Oscillatory Thermocapillary Convection in Liquid Bridge under Microgravity
Mater. Trans., 45 (2004) 1522-1527. https://doi.org/10.2320/matertrans.45.1522
79. A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Electronic Transport Properties of a Metal-Semiconductor Carbon Nanotube Heterojunction
Physica E, 22 (2004) 675-678. https://doi.org/10.1016/j.physe.2003.12.097
80. Y. Kikuchi, R. V. Belosludov, H. Baba, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Structure and Electronic Properties of Metal Di-(4-thiophenyl)-porphyrin
Mol. Sim., 30 (2004) 929-933. https://doi.org/10.1080/08927020412331298667
81. H.-M. Weng, X.-P. Yang, J.-M. Dong, H. Mizuseki, M. Kawasaki, and Y. Kawazoe
Electronic Structure and Optical Properties of the Co-doped Anatase TiO2 Studied from First Principles
Phys. Rev. B, 69 (2004) 125219. https://doi.org/10.1103/PhysRevB.69.125219
82. C. Majumder, H. Mizuseki, and Y. Kawazoe
Effect of Substituent Groups on the Electronic Properties of a Molecular Device: An Ab Initio Theoretical Study
J. Mol. Struct., 681 (2004) 65-69. https://doi.org/10.1016/j.theochem.2004.05.013
83. W.-W. Cheng, X.-Y. Liao, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Electron Transport through Heterocyclic Molecule: Ab Initio Molecular Orbital Theory
Phys. Lett. A, 326 (2004) 412-416. https://doi.org/10.1016/j.physleta.2004.04.043
84. M. Khazaei, A. A. Farajian, G.-H. Jeong, H. Mizuseki, T. Hirata, R. Hatakeyama, and Y. Kawazoe
Dynamical Criteria for Cs Ion Insertion and Adsorption at Cap and Stem of Carbon Nanotubes: Ab Initio Study and Comparison with Experiment
J. Phys. Chem. B, 108 (2004) 15529-15535. https://doi.org/10.1021/jp0481557
85. Y.-X. Liao, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Current-voltage Characteristics of Molecular Devices at Low Bias
Chinese Phys. Lett., 21 (2004) 1247-1250. https://doi.org/10.1088/0256-307X/21/7/017
86. S.-Y. Wang, J.-Z. Yu, H. Mizuseki, Q. Sun, C.-Y. Wang, and Y. Kawazoe
Energetics and Local Spin Magnetic Moment of Single 3,4d Impurities Encapsulated in an Icosahedral Au12 Cage
Phys. Rev. B, 70 (2004) 165413. https://doi.org/10.1103/PhysRevB.70.165413
87. T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki, and Y. Ikeda
Ab initio Determination of Total-Energy Surfaces for Distortions of Ferroelectric Perovskite Oxides
Jpn. J. Appl. Phys., 43 (2004) 6785-6792. https://doi.org/10.1143/JJAP.43.6785
88. R. El Ouenzerfi, S. Ono, A. Quema, M. Goto, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa, and T. Fukuda
Design Proposal of Light Emitting Diode in Vacuum Ultraviolet Based on Perovskite-Like Fluoride Crystals
Jpn. J. Appl. Phys., 43 (2004) L1140-L1143. https://doi.org/10.1143/JJAP.43.L1140
89. R. El Ouenzerfi, S. Ono, A. Quema, M. Goto, M. Sakai, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, H. Sato, D. Ehrentraut, A. Yoshikawa, and T. Fukuda
Design of Wide-gap Fluoride Heterostructures for Deep Ultraviolet Optical Devices
J. Appl. Phys., 96 (2004) 7655-7659. https://doi.org/10.1063/1.1808474
90. W.-W. Cheng, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Electron Transport through Molecular Wire: Effect of Isomery
Physica E, 25 (2005) 643-646. https://doi.org/10.1016/j.physe.2004.09.006
91. P. Murugan, R. V. Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki, and Y. Kawazoe
TiO2 (rutile) Doped with Double Impurities for Fabricating Spintronic Devices - a Combinatorial Computational Approach
Meas. Sci. Technol., 16 (2005) 242-247. https://doi.org/10.1088/0957-0233/16/1/032
92. C. Majumder, V. Kumar, H. Mizuseki, and Y. Kawazoe
Atomic and Electronic Structures of Neutral and Cation Snn (n = 2-20) Clusters:
A Comparative Theoretical Study with Different Exchange-correlation Functionals
Phys. Rev. B, 71 (2005) 035401. https://doi.org/10.1103/PhysRevB.71.035401
93. R. V. Belosludov, A. A. Farajian, H. Baba, H. Mizuseki, and Y. Kawazoe
Electronic and Transport Properties of Doped Organic Molecules for Molecular Wire Applications
Jpn. J. Appl. Phys., 44 (2005) 2823-2825. https://doi.org/10.1143/JJAP.44.2823
94. J.-T. Wang, E.-G. Wang, D.-S. Wang, H. Mizuseki, Y. Kawazoe, M. Naitoh, and S. Nishigaki
Dynamic Ad-Dimer Twisting Assisted Nanowire Self-Assembly on Si(001)
Phys. Rev. Lett., 94 (2005) 226103. https://doi.org/10.1103/PhysRevLett.94.226103
95. R. Sahara, H. Mizuseki, K. Ohno, and Y. Kawazoe
Thermodynamic Properties of Transition Metals Using Face-Centered-Cubic Lattice Model with Renormalized Potentials
Mater. Trans., 46 (2005) 1127-1130. https://doi.org/10.2320/matertrans.46.1127
96. H. Mizuseki, R. V. Belosludov, A. A. Farajian, N. Igarashi, and Y. Kawazoe
Theoretical Study on Junctions in Porphyrin Oligomers for Nanoscale Devices
Mater. Sci. Eng. C, 25 (2005) 718-721. https://doi.org/10.1016/j.msec.2005.07.012
97. F. Jiang, Y.-X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Ab Initio Study of Molecule Transport Characteristics based on Nonequilibrium Green's Function Theory
Phys. Rev. B, 72 (2005) 155408. https://doi.org/10.1103/PhysRevB.72.155408
98. M. Khazaei, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
An Ab Initio Study of Single-walled Nanotubes Bombarded with 50 - 150 eV Cs+ Ions
Chem. Phys. Lett., 415 (2005) 34-39. https://doi.org/10.1103/PhysRevB.72.155408
99. T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki, and Y. Ikeda
Ab Initio Study of Strain-Induced Ferroelectricity in SrTiO3
Jpn. J. Appl. Phys., 44 (2005) 7134-7140. https://doi.org/10.1143/JJAP.44.7134
100. S. Ono, R. El Ouenzerfi, A. Quema, H. Murakami, N. Sarukura, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa, and T. Fukuda
Band-Structure Design of Fluoride Complex Materials for Deep-Ultraviolet Light-Emitting Diodes
Jpn. J. Appl. Phys., 44 (2005) 7285-7290. https://doi.org/10.1143/JJAP.44.7285
101. O. V. Pupysheva, A. A. Farajian, H. Nejo, H. Mizuseki, and Y. Kawazoe
Interaction of Single-Walled Carbon Nanotubes with Alkylamines: An ab initio Study
Thin Solid Films, 499 (2006) 256-258. https://doi.org/10.1016/j.tsf.2005.07.021
102. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
A General-Purpose Approach for Calculating Transport in Contact-Molecule-Contact Systems: TARABORD Implementation and Application to a Polythiophene-Based Nanodevice
Thin Solid Films, 499 (2006) 269-274. https://doi.org/10.1016/j.tsf.2005.07.122
103. R. V. Belosludov, A. A. Farajian, Y. Kikuchi, H. Mizuseki, and Y. Kawazoe
Realization of Molecular Interconnection for Molecular Electronics: Theoretical Aspects
Comput. Mater. Sci., 36 (2006) 130-134. https://doi.org/10.1016/j.commatsci.2004.11.012
104. J.-T. Wang, D.-S. Wang, E.-G. Wang, H. Mizuseki, Y. Kawazoe, M. Naitoh, and S. Nishigaki
Dynamic Formation Process of Bi Line Structure on Si(100) Surface
Comput. Mater. Sci., 36 (2006) 135-138. https://doi.org/10.1016/j.commatsci.2004.11.012
105. M. Khazaei, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Cs Doping Effects on Electronic Structure of Thin Nanotubes
Comput. Mater. Sci., 36 (2006) 152-158. https://doi.org/10.1016/j.commatsci.2005.03.024
106. T. Uehara, R. V. Belosludov, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Electronic and Transport Properties of Ferrocene: Theoretical Study
Jpn. J. Appl. Phys., 45 (2006) 3768-3771. https://doi.org/10.1143/JJAP.45.3768
107. P. Murugan, R. V. Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki, and Y. Kawazoe
Electronic and Magnetic Properties of Double-impurities-doped TiO2 (rutile): First-Principles Calculations
J. Appl. Phys., 99 (2006) 08M105. https://doi.org/10.1063/1.2165108
108. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, and Y. Kawazoe
Terahertz Vibrational Modes of Crystalline Salicylic Acid by Numerical Model using Periodic Density Functional Theory
Jpn. J. Appl. Phys., 45 (2006) 4170-4175. https://doi.org/10.1143/JJAP.45.4170
109. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
Terahertz Phonon Modes of an Intermolecular Network of Hydrogen Bonds in an Anhydrous b-D-Glucopyranose Crystal
Chem. Phys. Lett., 423 (2006) 439-444. https://doi.org/10.1016/j.cplett.2006.04.012
110. J.-T. Wang, C.-F. Chen, E.-G. Wang, D.-S. Wang, H. Mizuseki, and Y. Kawazoe
Two-Stage Rotation Mechanism for Group-V Precursor Dissociation on Si(001)
Phys. Rev. Lett., 97 (2006) 046103. https://doi.org/10.1103/PhysRevLett.97.046103
111. 上原朋樹、五十嵐伸昭、R. V. Belosludov、A. A. Farajian、水関博志、川添良幸
第一原理計算によるメタロセン分子の導電性評価
日本金属学会誌 第70巻 (2006) 478-482.
T. Uehara, N. Igarashi, R. V. Belosludov, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Theoretical Study of Conductance Properties of Metallocene (in Japanese)
J. Japan Inst. Metals, 70 (2006) 478-482. https://doi.org/10.2320/jinstmet.70.478
112. 岡利昭、水関博志、川添良幸
Pt-M合金(M=Ru, Sn)上におけるCO酸化に関する活性化エネルギーの評価
日本金属学会誌 第70巻 (2006) 495-499.
T. Oka, H. Mizuseki, and Y. Kawazoe
Activation Barriers of CO Oxidation on Pt-M(M=Ru, Sn) Alloys (in Japanese)
J. Japan Inst. Metals, 70 (2006) 495-499. https://doi.org/10.2320/jinstmet.70.495
113. O. V. Pupysheva, A. V. Dmitriev, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Transition between N- and Z-shaped Current-voltage Characteristics in Semiconductor Multiple-quantum-well Structures
J. Appl. Phys., 100 (2006) 033718. https://doi.org/10.1063/1.2234546
114. F. Jiang, Y.-X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Self-consistent Study of Single Molecular Transistor Modulated by Transverse Field
J. Chem. Phys., 125 (2006) 084710. https://doi.org/10.1063/1.2337286
115. T. M. Inerbaev, R. V. Belosludov, H. Mizuseki, M. Takahashi, and Y. Kawazoe
First Excited State Properties and Static Hyperpolarizability of Ruthenium(II) Ammine Complexes
J. Chem. Theory Comput., 2 (2006) 1325-1334. https://doi.org/10.1021/ct050193m
116. F. Jiang, Y.-X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
First-principles Study of Phenyl Ethylene Oligomers as Current-switch
Phys. Lett. A, 359 (2006) 487-493. https://doi.org/10.1016/j.physleta.2006.06.070
117. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
First-principles Calculations of the Far-infrared Absorption Spectrum of 4'-dimethylamino-N-methyl-4-stilbazolium Tosylate
Chem. Phys. Lett., 432 (2006) 157-162. https://doi.org/10.1016/j.cplett.2006.10.089
118. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
First Principles Calculation of Terahertz Vibrational Modes of a Disaccharide Monohydrate Crystal of Lactose
Jpn. J. Appl. Phys., 45 (2006) L1156-L1158. https://doi.org/10.1143/JJAP.45.L1156
119. J.-T. Wang, D.-S. Wang, C. Chen, O. Nashima, T. Kanomata, H. Mizuseki, and Y. Kawazoe
Vacancy Induced Structural and Magnetic Transition in MnCo1-xGe
Appl. Phys. Lett., 89 (2006) 262504. https://doi.org/10.1063/1.2424273
120. T. M. Inerbaev, S. Saito, R. V. Belosludov, H. Mizuseki, M. Takahashi, and Y. Kawazoe
Excited State Properties and Quadratic Optical Nonlinearities in Charged Organic Chromophores: Theoretical Analysis
J. Chem. Phys., 125 (2006) 234702. https://doi.org/10.1063/1.2403864
121. S. Saito, T. M. Inerbaev, H. Mizuseki, N. Igarashi, R. Note, and Y. Kawazoe
Surface and Bulklike Phonon Modes of Si(100) Nanometer Thin Film
Chem. Phys. Lett., 433 (2006) 86-90. https://doi.org/10.1016/j.cplett.2006.11.047
122. S. U. Lee, Y.-K. Han, H. Mizuseki, and Y. Kawazoe
Interpreting STM Image and Tunneling-current-induced Rotation of cis-2-butene on a Pd(110) Surface
Chem. Phys. Lett., 435 (2007) 90-95. https://doi.org/10.1016/j.cplett.2006.12.039
123. T. M. Inerbaev, R. Sahara, H. Mizuseki, Y. Kawazoe, and T. Nakamura
Interstitial Oxygen and Dopant Atoms Arrangement in Tin-Doped Indium Oxide
Mater. Trans., 48 (2007) 666-669. https://doi.org/10.2320/matertrans.48.666
124. R. V. Belosludov, A. A. Farajian, H. Mizuseki, K. Miki, and Y. Kawazoe
Electronic and Transport Properties of Bismuth Nanolines for Applications in Molecular Electronics
Phys. Rev. B, 75 (2007) 113411. https://doi.org/10.1103/PhysRevB.75.113411
125. Y.-X. Zhou, F. Jiang, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Quantum Length Dependence of Conductance in Oligomers: First-principles Calculations
Phys. Rev. B, 75 (2007) 245407. https://doi.org/10.1103/PhysRevB.75.245407
126. J.-F. Ye, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Excess Polarizabilities Upon Excitation from the Ground State to the First Dipole-allowed Excited State of Diphenylpolyenes
Int. J. Quantum Chem., 107 (2007) 2006-2014. https://doi.org/10.1002/qua.21361
127. T. Oka, H. Mizuseki, and Y. Kawazoe
CO Oxidation Process on Pt-M(111) Alloys (M=Ru, Sn): An ab initio Study
Mater. Trans., 48 (2007) 1907-1912. https://doi.org/10.2320/matertrans.N-MRA2007858
128. A. A. Farajian, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, T. Hashizume, and B. I. Yakobson
Gate-induced Switching and Negative Differential Resistance in a Single-Molecule Transistor: Emergence of Fixed and Shifting States with Molecular Length
J. Chem. Phys., 127 (2007) 024901. https://doi.org/10.1063/1.2748047
129. N. Sarukura, H. Murakami, E. Estacio, S. Ono, R. El Ouenzerfi, M. Cadatal, T. Nishimatsu, N. Terakubo, H. Mizuseki, Y. Kawazoe, A. Yoshikawa, and T. Fukuda
Proposed Design Principle of Fluoride-based Materials for Deep Ultraviolet Light Emitting Devices
Optical Materials, 30 (2007) 15-17. https://doi.org/10.1063/1.2748047
130. Y.-Y. Liang, F. Jiang, Y.-X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Ab Initio Study of Single-Molecule Rotation Switch based on Nonequilibrium Green's Function Theory
J. Chem. Phys., 127 (2007) 084107. https://doi.org/10.1063/1.2771156
131. S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Control of Electron Transport by Manipulating the Conjugated Framework
J. Phys. Chem. C, 111 (2007) 15397-15403. https://doi.org/10.1021/jp074294n
132. V. N. Nemykin, R. G. Hadt, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Influence of Molecular Geometry, Exchange-Correlation Functional, and Solvent Effects in the Modeling of Vertical Excitation Energies in Phthalocyanines Using Time-Dependent Density Functional Theory (TDDFT) and Polarized Continuum Model TDDFT Methods: Can Modern Computational Chemistry Methods Explain Experimental Controversies?
J. Phys. Chem. A, 111 (2007) 12901-12913. https://doi.org/10.1021/jp0759731
133. Y.-X. Zhou, F. Jiang, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
First-principles Study of Length Dependence of Conductance in Alkanedithiols
J. Chem. Phys., 128 (2008) 044704. https://doi.org/10.1063/1.2827868
134. E. Estacio, S. Saito, T. Nakazato, Y. Furukawa, N. Sarukura, M. Cadatal, M. H. Pham, C. Ponseca, Jr., H. Mizuseki, and Y. Kawazoe
Birefringence of b-BaB2O4 Crystal in the Terahertz Region for Parametric Device Design
Appl. Phys. Lett., 92 (2008) 091116. https://doi.org/10.1063/1.2890727
135. H. Mizuseki, R. V. Belosludov, T. Uehara, S. U. Lee, and Y. Kawazoe
Transport Properties of Nanoscale Materials for Molecular Wire Applications: A Case Study of Ferrocene Dimers
J. Korean Phys. Soc., 52 (2008) 1197-1201. https://doi.org/10.3938/jkps.52.1197
136. R. Sahara, H. Mizuseki, Y. Kawazoe, and K. Ohno
Temperature Dependence of the Bulk Modulus in FCC Metals by Using a Lattice-gas Model with Renormalized Potentials
J. Korean Phys. Soc., 52 (2008) 1259-1263. https://doi.org/10.3938/jkps.52.1259
137. Y.-Y. Liang, Y.-X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Current through Single Conjugated Molecules: Calculations Versus Measurements
J. Chem. Phys., 129 (2008) 024901. https://doi.org/10.1063/1.2951986
138. S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
The Role of Aromaticity and the p-Conjugated Framework in Multiporphyrinic Systems as Single-Molecule Switches
Small, 4 (2008) 962-969. https://doi.org/10.1002/smll.200701220
139. J.-T. Wang, C. Chen, E.-G. Wang, D.-S. Wang, H. Mizuseki, and Y. Kawazoe
Effect of Strain on the Energetics and Kinetics of Dissociation of Sb4 on Ge(001)
Phys. Rev. B, 78 (2008) 073403. https://doi.org/10.1103/PhysRevB.78.073403
140. J.-F. Ye, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe
Excess Polarizabilities upon the First Dipole-Allowed Excitation of Some Conjugated Oligomers
J. Phys. Org. Chem., 21 (2008) 789-796. https://doi.org/10.1002/poc.1378
141. R. V. Belosludov, O. S. Subbotin, H. Mizuseki, P. M. Rodger, Y. Kawazoe, and V. R. Belosludov
Crystal-like Low Frequency Phonons in the Low-density Amorphous and High-density Amorphous Ices
J. Chem. Phys., 129 (2008) 114507. https://doi.org/10.1063/1.2977975
142. A. Suvitha, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, M. Takeda, M. Kohno, and N. Ohuchi
TD-DFT Studies on Hematoporphyrin and Its Dimers
Mater. Trans., 49 (2008) 2416-2419. https://doi.org/10.2320/matertrans.MB200829
143. S. U. Lee, Y.-K. Han, C. Majumder, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Structural Dependence of Magnetic Shielding Properties in Al4Li4 Clusters
Mater. Trans., 49 (2008) 2429-2436. https://doi.org/10.2320/matertrans.MB200823
144. C.-B. Chen, Z. Zeng, H. Mizuseki, and Y. Kawazoe
Thermocapillary Convection of Liquid Bridge under Axisymmetric Magnetic Fields
Mater. Trans., 49 (2008) 2566-2571. https://doi.org/10.2320/matertrans.MB200830
145. N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
Hydrogen Adsorption on Lithium-Functionalized Calixarenes: A Computational Study
J. Phys. Chem. C, 112 (2008) 19676-19679. https://doi.org/10.1021/jp808899t
146. S. Saito, E. Estacio, T. Nakazato, Y. Furukawa, T. Shimizu, N. Sarukura, M. Cadatal, M. H. Pham, C. Ponseca Jr., H. Mizuseki, and Y. Kawazoe
Observation of Birefringence in BBO Crystals in the Terahertz Regime
J. Cryst. Growth, 311 (2009) 895-898. https://doi.org/10.1016/j.jcrysgro.2008.09.130
147. 志田和人、佐原亮二、水関博志、川添良幸
パーコレーションモデルを用いた電導薄膜の材料設計:インジウム使用量削減をめざして
日本金属学会誌 第73巻 (2009) 171-173.
K. Shida, R. Sahara, H. Mizuseki, and Y. Kawazoe
Understanding of Electroconductivity of Thin Film Using Percolation Model for Reduction in Indium Consumption (in Japanese)
J. Japan Inst. Metals, 73 (2009) 171-173. https://doi.org/10.2320/jinstmet.73.171
148. J.-T. Wang, C. Chen, E.-G. Wang, D.-S. Wang, H. Mizuseki, and Y. Kawazoe
Highly Stable and Symmetric Boron Caged B@Co12@B80 Core-shell Cluster
Appl. Phys. Lett., 94 (2009) 133102. https://doi.org/10.1063/1.3111444
149. C. Rajesh, C. Majumder, H. Mizuseki, and Y. Kawazoe
A Theoretical Study on the Interaction of Aromatic Amino Acids with Graphene and Single Walled Carbon Nanotube
J. Chem. Phys., 130 (2009) 124911. https://doi.org/10.1063/1.3079096
150. N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
Probing the Structure, Stability and Hydrogen Adsorption of Lithium Functionalized Isoreticular MOF-5 (Fe, Cu, Co, Ni and Zn) by Density Functional Theory
Int. J. Mol. Sci., 10 (2009) 1601-1608. https://doi.org/10.3390/ijms10041601
151. N. S. Venkataramanan, M. Khazaei, R. Sahara, H. Mizuseki, and Y. Kawazoe
First-principles Study of Hydrogen Storage over Ni and Rh Doped BN Sheets
Chem. Phys., 359 (2009) 173-178. https://doi.org/10.1016/j.chemphys.2009.04.001
152. S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Designing Nanogadgetry for Nanoelectronic Devices with Nitrogen-Doped Capped Carbon Nanotubes
Small, 5 (2009) 1769-1775. https://doi.org/10.1002/smll.200801938
153. A. Suvitha、R. V. Belosludov、水関博志、川添良幸、武田元博、河野雅弘、大内憲明
ヘマトポルフィリンとそのダイマーのTDDFT計算
日本金属学会誌 第73巻 (2009) 555-558.
A. Suvitha, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, M. Takeda, M. Kohno, and N. Ohuchi
TD-DFT Studies on Hematoporphyrin and Its Dimers (in Japanese)
J. Japan Inst. Metals, 73 (2009) 555-558. https://doi.org/10.2320/jinstmet.73.555
154. O. S. Subbotin, T. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, J. Kudoh, P. M. Rodger, and V. R. Belosludov
Theoretical Study of Phase Transitions and Ar Clathrate Hydrates from Structure II to Structure I under Pressure
J. Chem. Phys., 131 (2009) 114507. https://doi.org/10.1063/1.3212965
155. M. Khazaei, M. S. Bahramy, A. Ranjbar, H. Mizuseki, and Y. Kawazoe
Geometrical Indications of Adsorbed Hydrogen Atoms on Graphite Producing Star and Ellipsoidal Like Features in Scanning Tunneling Microscopy Images: Ab Initio Study
Carbon, 47 (2009) 3306-3312. https://doi.org/10.1016/j.carbon.2009.07.051
156. M. Khazaei, M. S. Bahramy, N. S. Venkataramanan, H. Mizuseki, and Y. Kawazoe
Chemical Engineering of Prehydrogenated C and BN-sheets by Li: Application in Hydrogen Storage
J. Appl. Phys., 106 (2009) 094303. https://doi.org/10.1063/1.3247342
157. S. Ahadian, H. Mizuseki, and Y. Kawazoe
An Efficient Tool for Modeling and Predicting Fluid Flow in Nanochannels
J. Chem. Phys., 131 (2009) 184506. https://doi.org/10.1063/1.3253701
158. Q. Peng, G. Chen, H. Mizuseki, and Y. Kawazoe
Hydrogen Storage Capacity of C60(OM)12 (M=Li and Na) Clusters
J. Chem. Phys., 131 (2009) 214505. https://doi.org/10.1063/1.3268919
159. G. Yin, Y.-Y. Liang, F. Jiang, H. Chen, P. Wang, R. Note, H. Mizuseki, and Y. Kawazoe
Polarization Induced Switching Effect in Graphene Nanoribbon Edge-Defect Junction
J. Chem. Phys., 131 (2009) 234706. https://doi.org/10.1063/1.3273312
160. R. V. Belosludov, O. S. Subbotin, H. Mizuseki, Y. Kawazoe, and V. R. Belosludov
Accurate Description of Phase Diagram of Clathrate Hydrates at the Molecular Level
J. Chem. Phys., 131 (2009) 244510. https://doi.org/10.1063/1.3276282
161. K. Shida, R. Sahara, M. N. Tripathi, H. Mizuseki, and Y. Kawazoe
Conductivity Percolation on a Square Lattice with Two Different Sizes of Particles
Mater. Trans., 50 (2009) 2848-2851. https://doi.org/10.2320/matertrans.M2009202
162. N. S. Venkataramanan, H. Mizuseki, and Y. Kawazoe
Hydrogen Storage on Nanofullerene Cages
NANO, 4 (2009) 253-263. https://doi.org/10.1142/S1793292009001733
163. T. M. Inerbaev, R. Sahara, H. Mizuseki, Y. Kawazoe, and T. Nakamura
Reducible and Non-reducible Defect Clusters in Tin-doped Indium Oxide
Solid State Commun., 150 (2010) 18-21. https://doi.org/10.1016/j.ssc.2009.10.016
164. B. Tsuchiya, R. Sahara, M. Oku, K. Konashi, S. Nagata, T. Shikama, H. Mizuseki, and Y. Kawazoe
Correlation between Microhardness and Electronic Charge Density of Hafnium Hydrides
J. Alloys Compd., 489 (2010) 685-688. https://doi.org/10.1016/j.jallcom.2009.09.151
165. J.-T. Wang, C. Chen, K. Ohno, E. Wang, X.-L. Chen, D.-S. Wang, H. Mizuseki, and Y. Kawazoe
Atomistic Nucleation and Growth Mechanism for Single-wall Carbon Nanotubes on Catalytic Nanoparticle Surfaces
Nanotechnology, 21 (2010) 115602. https://doi.org/10.1088/0957-4484/21/11/115602
166. S. Ahadian, H. Mizuseki, and Y. Kawazoe
Prediction and Analysis of Flow Behavior of a Polymer Melt through Nanochannels using Artificial Neural Network and Statistical Methods
Microfluidics and Nanofluidics, 9 (2010) 319-328. https://doi.org/10.1007/s10404-009-0549-8
167. A. Suvitha, N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
First-Principles Calculations on Σ3 Grain Boundary Transition Metal Impurities in Multicrystalline Silicon
Jpn. J. Appl. Phys., 49 (2010) 04DP02. https://doi.org/10.1143/JJAP.49.04DP02
168. V. J. Surya, K. Iyakutti, N. Venkataramanan, H. Mizuseki, and Y. Kawazoe
The Role of Li and Ni Metals in the Adsorbate Complex and their Effect on the Hydrogen Storage Capacity of Single Walled Carbon Nanotubes Coated with Metal Hydrides, LiH and NiH2
Int. J. Hydrogen Energy, 35 (2010) 2368-2376. https://doi.org/10.1016/j.ijhydene.2010.01.001
169. S. Ahadian, A. Ranjbar, H. Mizuseki, and Y. Kawazoe
A Novel Computational Approach to Study Proton Transfer in Perfluorosulfonic Acid Membranes
Int. J. Hydrogen Energy, 35 (2010) 3648-3655. https://doi.org/10.1016/j.ijhydene.2010.01.095
170. V. R. Belosludov, O. S. Subbotin, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Thermodynamic Phase Behavior of Binary Clathrate Hydrates: Computational Prediction
Comput. Mater. Sci., 49 (2010) S187-S193. https://doi.org/10.1016/j.ijhydene.2010.01.095
171. N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
Quantum Chemical Studies on the Alkali Atom Doped Calix[4]arene as Hydrogen Storage Material
Comput. Mater. Sci., 49 (2010) S263-S267. https://doi.org/10.1016/j.commatsci.2010.01.028
172. G. Chen, Q. Peng, H. Mizuseki, and Y. Kawazoe
Theoretical Investigation of Hydrogen Storage Ability of a Carbon Nanohorn
Comput. Mater. Sci., 49 (2010) S378-S382. https://doi.org/10.1021/jp100459c
173. N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
Titanium-Doped Nickel Clusters TiNin (n = 1 - 12): Geometry, Electronic, Magnetic, and Hydrogen Adsorption Properties
J. Phys. Chem. A, 114 (2010) 5049-5057. https://doi.org/10.1021/jp100459c
174. J.-T. Wang, C. Chen, D.-S. Wang, H. Mizuseki, and Y. Kawazoe
Phase Stability of Carbon Clathrates at High Pressure
J. Appl. Phys., 107 (2010) 063507. https://doi.org/10.1063/1.3359682
175. A. Suvitha, N. S. Venkataramanan, H. Mizuseki, Y. Kawazoe, and N. Ohuchi
Theoretical Insights into the Formation, Structure, and Electronic Properties of Anticancer Oxaliplatin Drug and Cucurbit[n]urils n = 5 to 8
J. Incl. Phenom. Macrocycl. Chem., 66 (2010) 213-218. https://doi.org/10.1007/s10847-009-9601-2
176. S. U. Lee, J.-C. Kim, H. Mizuseki, and Y. Kawazoe
The Origin of the Halogen Effect on the Phthalocyanine Green Pigments
Chemistry-An Asian Journal, 5 (2010) 1341-1346. https://doi.org/10.1002/asia.200900601
177. K. Shida, R. Sahara, M. N. Tripathi, H. Mizuseki, and Y. Kawazoe
Conductivity Percolation on a Square Lattice with Core-Shell Particles
Mater. Trans., 51 (2010) 771-774. https://doi.org/10.2320/matertrans.M2009329
178. K. Shida, R. Sahara, M. N. Tripathi, H. Mizuseki, and Y. Kawazoe
Controlling the Percolation Threshold of Conductor-Insulator Composites by Changing the Granular Size of Insulators
Mater. Trans., 51 (2010) 1141-1144. https://doi.org/10.2320/matertrans.M2010019
179. J. Wang, Y.-Y. Liang, H. Chen, P. Wang, R. Note, H. Mizuseki, and Y. Kawazoe
Self-Consistent Study of Conjugated Aromatic Molecular Transistors
Chinese. Phys. Lett., 27 (2010) 067303. https://doi.org/10.1088/0256-307X/27/6/067303
180. D. N. Dybtsev, M. P. Yutkin, D. G. Samsonenko, V. P. Fedin, A. L. Nuzhdin, A. A. Bezrukov, K. P. Bryliakov, E. P. Talsi, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, O. S. Subbotin, and V. R. Belosludov
Modular Homochiral Porous Coordination Polymers: Rational Design, Enantioselective Guest Exchange Sorption and Ab Initio Calculations of Host-Guest Interactions
Chem. Eur. J., 16 (2010) 10348-10356. https://doi.org/10.1002/chem.201000522
181. L.-P. Yao, Z. Zeng, H. Mizuseki, and Y. Kawazoe
Effects of Rotating Magnetic Fields on Thermocapillary Flow: Comparison of the Infinite and the Φ1-Φ2 Models
Int. J. Therm. Sci., 49 (2010) 2413-2418. https://doi.org/10.1016/j.ijthermalsci.2010.07.017
182. N. S. Venkataramanan, R. V. Belosludov, R. Note, R. Sahara, H. Mizuseki, and Y. Kawazoe
Theoretical Investigation on the Alkali-Metal Doped BN Fullerene as a Material for Hydrogen Storage
Chem. Phys., 377 (2010) 54-59. https://doi.org/10.1016/j.chemphys.2010.08.015
183. S. U. Lee, H. Mizuseki, and Y. Kawazoe
Rigid Adamantane Tripod Linkage for Well-defined Conductance of a Single-molecule Junction
Phys. Chem. Chem. Phys., 12 (2010) 11763-11769. https://doi.org/10.1039/C001400A
184. A. Ranjbar, M. S. Bahramy, M. Khazaei, H. Mizuseki, and Y. Kawazoe
First-principles Study of Structural Stability, Magnetism, and Hyperfine Coupling in Hydrogen Clusters Adsorbed on Graphene
Phys. Rev. B, 82 (2010) 165446. https://doi.org/10.1103/PhysRevB.82.165446
185. S. Ahadian, H. Mizuseki, and Y. Kawazoe
On the Kinetics of the Capillary Imbibition of a Simple Fluid through a Designed Nanochannel using the Molecular Dynamics Simulation Approach
Journal of Colloid and Interface Science, 352 (2010) 566-572. https://doi.org/10.1016/j.jcis.2010.09.011
186. C.-Y. Chung, R. Yaokawa, H. Mizuseki, S. Uda, and Y. Kawazoe
First Principles Calculation of La3Ta0.5Ga5.5O14 Crystal with Acceptor-like Intrinsic Point Defects
J. Appl. Phys., 108 (2010) 113505. https://doi.org/10.1063/1.3514008
187. S. U. Lee, H. Mizuseki, and Y. Kawazoe
Electron Transport Characteristics of One-Dimensional Heterojunctions with Multi-Nitrogen-Doped Capped Carbon Nanotubes
Nanoscale, 2 (2010) 2758-2764. https://doi.org/10.1039/C0NR00411A
188. K. Shida, R. Sahara, M. N. Tripathi, H. Mizuseki, and Y. Kawazoe
Conductivity Percolation on a Cubic Lattice with Two Different Sizes of Particles
Mater. Trans., 52 (2011) 108-111. https://doi.org/10.2320/matertrans.M2010310
189. T. M. Inerbaev, F.-L. Gu, H. Mizuseki, and Y. Kawazoe
Theoretical Study of Solvent Effect on the Structure, First Electronic Excited State, and Nonlinear Optical Properties of Substituted Stilbazolium Cations
Int. J. Quantum Chem., 111 (2011) 780-787. https://doi.org/10.1002/qua.22882
190. N. S. Venkataramanan, A. Suvitha, H. Nejo, H. Mizuseki, and Y. Kawazoe
Electronic Structures and Spectra of Symmetric Meso-Substituted Porphyrin: DFT and TDDFT-PCM Investigations
Int. J. Quantum Chem., 111 (2011) 2340-2351. https://doi.org/10.1002/qua.22519
191. M. Souissi, R. V. Belosludov, O. S. Subbotin, H. Mizuseki, Y. Kawazoe, and V. R. Belosludov
Thermodynamic Stability of C3H8 Hydrate of Cubic Structure IV using Lattice Dynamics
J. Incl. Phenom. Macrocycl. Chem., 69 (2011) 281-286. https://doi.org/10.1007/s10847-010-9845-x
192. S. Ahadian, H. Mizuseki, and Y. Kawazoe
Effects of Hydration Level, Temperature, Side Chain and Backbone Flexibility of the Polymer on the Proton Transfer in Short-side-chain Perfluorosulfonic Acid Membranes at Low Humidity Conditions
J. Membrane Sci., 369 (2011) 339-349. https://doi.org/10.1016/j.memsci.2010.12.011
193. I. Takahashi, N. Usami, H. Mizuseki, Y. Kawazoe, G. Stokkan, and K. Nakajima
Impact of Type of Crystal Defects in Multicrystalline Si on Electrical Properties and Interaction with Impurities
J. Appl. Phys., 109 (2011) 033504. https://doi.org/10.1063/1.3544208
194. L.-P. Yao, Z. Zeng, X. Li, J.-Q. Chen, H. Mizuseki, and Y. Kawazoe
Effects of Rotating Magnetic Fields on Thermocapillary Flow in a Floating Half-Zone
J. Cryst. Growth, 316 (2011) 177-184. https://doi.org/10.1016/j.jcrysgro.2010.12.065
195. S. U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Electron Transport Characteristics of Organic Molecule Encapsulated Carbon Nanotubes
Nanoscale, 3 (2011) 1773-1779. https://doi.org/10.1039/C0NR00757A
196. Y.-Y. Liang, H. Chen, H. Mizuseki, and Y. Kawazoe
Gate-controlled Current and Inelastic Electron Tunneling Spectrum of Benzene: A Self-consistent Study
J. Chem. Phys., 134 (2011) 144113. https://doi.org/10.1063/1.3571475
197. V. J. Surya, K. Iyakutti, V. P. Venkatesh, H. Mizuseki, and Y. Kawazoe
First Principles Investigation on Carbon Nanostructures Functionalized with Borane: An Analysis on their Hydrogen Storage Capacity
Physica E, 43 (2011) 1528-1534. https://doi.org/10.1002/pssb.201046532
198. V. J. Surya, K. Iyakutti, N. S. Venkataramanan, H. Mizuseki, and Y. Kawazoe
Single Walled Carbon Nanotubes Functionalized with Hydrides as Potential Hydrogen Storage Media: A Survey of Intermolecular Interactions
Phys. Status Solidi B, 248 (2011) 2147-2158. https://doi.org/10.1002/pssb.201046532
199. K. Shida, R. Sahara, M. N. Tripathi, H. Mizuseki, and Y. Kawazoe
Conductivity Percolation on a Cubic Lattice with Core-Shell Particles
Mater. Trans., 52 (2011) 1259-1262. https://doi.org/10.2320/matertrans.M2010412
200. C.-Y. Chung, R. Yaokawa, H. Mizuseki, and Y. Kawazoe
Atomistic Configurational Effects on Piezoelectric Properties of La3Ta0.5Ga5.5O14 and a New Piezoelectric Crystal Design
Acta Materialia, 59 (2011) 6473-6479. https://doi.org/10.1016/j.actamat.2011.07.011
201. Q. Peng, G. Chen, L. J. Kang, H. Mizuseki, and Y. Kawazoe
First-principles Study of the H2 Splitting Processes on Pure and Transition-metal-doped Al (111) Surfaces
Int. J. Hydrogen Energy, 36 (2011) 12742-12752. https://doi.org/10.1016/j.ijhydene.2011.07.052
202. D.-D. Wu, F. Jiang, G. Yin, H. Chen, Y.-Y. Liang, H. Mizuseki, and Y. Kawazoe
Hydrogenation-chain-opened Conductive Channels in Zigzag Graphene Nanoribbons
J. Appl. Phys., 110 (2011) 033712. https://doi.org/10.1063/1.3614496
203. V. J. Surya, K. Iyakutti, H. Mizuseki, and Y. Kawazoe
First Principles Study on Desorption of Chemisorbed Hydrogen Atoms from Single-walled Carbon Nanotubes under External Electric Field
Int. J. Hydrogen Energy, 36 (2011) 13645-13656. https://doi.org/10.1016/j.ijhydene.2011.08.015
204. G. Chen, S. J. Li, Y. Su, V. Wang, H. Mizuseki, and Y. Kawazoe
Improved Stability and Catalytic Properties of Au16 Cluster Supported on Graphane
J. Phys. Chem. C, 115 (2011) 20168-20174. https://doi.org/10.1021/jp207685x
205. M. H. Mahyuddin, R. V. Belosludov, M. Khazaei, H. Mizuseki, and Y. Kawazoe
Effects of Alkali Adatom on CO and H2S Adsorptions on Fe(100) Surface: A Density Functional Theory Study
J. Phys. Chem. C, 115 (2011) 23893-23901. https://doi.org/10.1021/jp2071452
206. K. Shida, R. Sahara, H. Mizuseki, and Y. Kawazoe
Controlling 3D Percolation Threshold of Conductor-Insulator Composites by Changing the Granular Size of Conductors
Mater. Trans., 52 (2011) 2216-2219. https://doi.org/10.2320/matertrans.M2011176
207. S. Ahadian, H. Mizuseki, and Y. Kawazoe
A First-Principles Study on Water Flow through Single-Walled Carbon Nanotubes using Artificial Neural Network Method
J. Nanosci. Nanotechnol. 11 (2011) 10227-10233. https://doi.org/10.1166/jnn.2011.5006
208. C.-Y. Chung, R. Yaokawa, H. Mizuseki, and Y. Kawazoe
First Principles Calculations of Oxygen Vacancy in Langatate Crystal
Solid State Ionics, 206 (2012) 1-6. https://doi.org/10.1016/j.ssi.2011.10.027
209. C.-Y. Chung, R. Yaokawa, H. Mizuseki, and Y. Kawazoe
GW Calculations on La3Ta0.5Ga5.5O14 with Oxygen Vacancies at Non-equivalent Sites
Comput. Mater. Sci., 54 (2012) 43-47. https://doi.org/10.1166/jnn.2011.5006
210. V. Wang, H. Mizuseki, H. P. He, G. Chen, S. L. Zhang, and Y. Kawazoe
Calcium-decorated Graphene for Hydrogen Storage: A van der Waals Density Functional Study
Comput. Mater. Sci., 55 (2012) 180-185. https://doi.org/10.1016/j.commatsci.2011.12.006
211. R. V. Belosludov, R. K. Zhdanov, O. S. Subbotin, H. Mizuseki, M. Souissi, Y. Kawazoe, and V. R. Belosludov
Theoretical Modelling of the Phase Diagrams of Clathrate Hydrates for Hydrogen Storage Applications
Mol. Sim., 38 (2012) 773-780. https://doi.org/10.1080/08927022.2011.654204
212. H. Abe, R. Note, H. Mizuseki, Y. Kawazoe, J. Habasaki, and I. Tomita
Thermal Behavior of Caged Silsesquioxane (POSS) Studied by Molecular Dynamics Simulations
J. Inorg. Organomet. Polym. Mater., 22 (2012) 845-851. https://doi.org/10.1007/s10904-011-9637-9
213. V. Wang, N. Ma, H. Mizuseki, and Y. Kawazoe
First-principles Study of Intrinsic Defect Properties in Hexagonal BN Bilayer and Monolayer
Solid State Commun., 152 (2012) 816-820. https://doi.org/10.1016/j.ssc.2012.01.034
214. L. Yao, Z. Zeng, J. Chen, L. Li, H. Mizuseki, and Y. Kawazoe
Investigation of Convection Control under the Non-uniform RMF in a Liquid Bridge
Procedia Engineering, 31 (2012) 659-664. https://doi.org/10.1016/j.proeng.2012.01.1082
215. H. B. Wang, S. J. Li, S. L. Xiu, L. Gong, G. Chen, H. Mizuseki, and Y. Kawazoe
Insight into the Vertical Detachment Energy Oscillation of NanC60- Clusters
J. Chem. Phys., 136 (2012) 174314. https://doi.org/10.1063/1.4712219
216. M. N. Tripathi, K. Shida, R. Sahara, H. Mizuseki, and Y. Kawazoe
First-principles Analysis of Structural and Opto-electronic Properties of Indium Tin Oxide
J. Appl. Phys., 111 (2012) 103110. https://doi.org/10.1063/1.4719980
217. V. J. Surya, K. Iyakutti, H. Mizuseki, and Y. Kawazoe
Tuning Electronic Structure of Graphene: A First-Principles Study
IEEE Trans. Nanotech., 11 (2012) 534-541. https://doi.org/10.1109/TNANO.2011.2182358
218. K. Shida, R. Sahara, H. Mizuseki, and Y. Kawazoe
Controlling the Percolation Threshold of Conductor-Insulator Composites in a 2D Triangular Lattice by Introducing Binary Size Distributions of Conductor Particles
Mater. Trans., 53 (2012) 1301-1304. https://doi.org/10.2320/matertrans.M2012029
219. R. V. Belosludov, H. Mizuseki, M. Souissi, Y. Kawazoe, J. Kudoh, O. S. Subbotin, T. Adamova, and V. R. Belosludov
An Atomistic Level Description of Guest Molecule Effect on the Formation of Hydrate Crystal Nuclei by Ab Initio Calculations
J. Str. Chem. 53 (2012) 619-626. https://doi.org/10.1134/S0022476612040014
220. O. S. Subbotin, T. P. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, and V. R. Belosludov
Theoretical Investigation of Ozone Hydrate Formation Conditions
J. Str. Chem. 53 (2012) 627-633. https://doi.org/10.1134/S0022476612040026
221. V. J. Surya, K. Iyakutti, H. Mizuseki, and Y. Kawazoe
Modification of Graphene as Active Hydrogen Storage Medium by Strain Engineering
Comput. Mater. Sci., 65 (2012) 144-148. https://doi.org/10.1016/j.commatsci.2012.07.016
222. L. Yao, Z. Zeng, Y. Zhang, Z. Qiu, H. Mizuseki, and Y. Kawazoe
Three-dimensional Unsteady Thermocapillary Flow under Rotating Magnetic Field
Crystal Research and Technology, 47 (2012) 816-823. https://doi.org/10.1002/crat.201200029
223. G. Qin, H. Chen, H. Mizuseki, and Y. Kawazoe
Transport in Quantum Spin Hall Phase of Graphene Nanoribbons
J. Appl. Phys., 112 (2012) 063713. https://doi.org/10.1063/1.4754427
224. M. N. Tripathi, M. S. Bahramy, K. Shida, R. Sahara, H. Mizuseki, and Y. Kawazoe
Optoelectronic and Magnetic Properties of Mn-doped Indium Tin Oxide: A First-principles Study
J. Appl. Phys., 112 (2012) 073105. https://doi.org/10.1063/1.4757036
225. Y. Liang, V. Wang, H. Mizuseki, and Y. Kawazoe
Band Gap Engineering of Silicene Zigzag Nanoribbons with Perpendicular Electric Fields: A Theoretical Study
J. Phys.: Condens. Matter 24 (2012) 455302. https://doi.org/10.1088/0953-8984/24/45/455302
226. N. S. Venkataramanan, S. Ambigapathy, H. Mizuseki, and Y. Kawazoe
Theoretical Prediction of the Complexation Behaviors of Antitumor Platinum Drugs with Cucurbiturils
J. Phys. Chem. B, 116 (2012) 14029-14039. https://doi.org/10.1021/jp3098044
227. H.-Q. Xie, Z. Zeng, L.-Q. Zhang, G.-Y. Liang, H. Mizuseki, and Y. Kawazoe
Multi-relaxation-time Lattice Boltzmann Front Tracking Method for Two-phase Flow with Surface Tension
Chinese Phys. B., 21 (2012) 124703. https://doi.org/10.1088/1674-1056/21/12/124703
228. K. Shida, R. Sahara, H. Mizuseki, and Y. Kawazoe
Controlling 3D Percolation Threshold of Conductor-Insulator Composites by Changing the Granular Size of Insulators
Mater. Trans., 54 (2013) 110-113. https://doi.org/10.2320/matertrans.M2012227
229. J.-T. Wang, C. Chen, H. Mizuseki, and Y. Kawazoe
Kinetic Origin of Divergent Decompression Pathways in Silicon and Germanium
Phys. Rev. Lett., 110 (2013) 165503. https://doi.org/10.1103/PhysRevLett.110.165503
230. H. Mei, Z. Zeng, Z. Qiu, L. Li, L. Yao, H. Mizuseki, and Y. Kawazoe
Numerical Simulation of Crucible Rotation in High-temperature Solution Growth Method using a Fourier-Legendre Spectral Element Method
International Journal of Heat and Mass Transfer, 64 (2013) 882-891. https://doi.org/10.1016/j.ijheatmasstransfer.2013.05.018
231. N. S. Venkataramanan, A. Suvitha, H. Mizuseki, and Y. Kawazoe
A Theoretical Study of the Effects of Transition Metal Dopants on the Adsorption and Dissociation of Hydrogen on Nickel Clusters
Int. J. Quantum Chem., 113 (2013) 1940-1948. https://doi.org/10.1002/qua.24418
232. R. Sahara, H. Mizuseki, M. H. F. Sluiter, K. Ohno, and Y. Kawazoe
Effect of a Nickel Dimer on the Dissociation Dynamics of a Hydrogen Molecule
RSC Advances, 3 (2013) 12307-12312. https://doi.org/10.1039/C3RA40928G
233. V. Wang, C.-Y. You, H.-P. He, D.-M. Ma, H. Mizuseki, and Y. Kawazoe
Roles of Oxygen Vacancy on Ferromagnetism in Ni Doped In2O3: A Hybrid Functional Study
J. Magn. Magn. Mater., 348 (2013) 55-60. https://doi.org/10.1016/j.jmmm.2013.08.001
234. R. V. Belosludov, Y. Y. Bozhko, O. S. Subbotin, V. R. Belosludov, H. Mizuseki, Y. Kawazoe, and V. M. Fomin
Stability and Composition of Helium Hydrates Based on Ices Ih and II at Low Temperatures
J. Phys. Chem. C, 118 (2014) 2587-2593. https://doi.org/10.1021/jp411241s
235. R. Lavanya, V. J. Surya, I. Lakshmi, K. Iyakutti, V. Vasu, H. Mizuseki, and Y. Kawazoe
Hydrogen Storage in TiO2 Functionalized (10, 10) Single Walled Carbon Nanotube (SWCNT) - First Principles Study
Int. J. Hydrogen Energy, 39 (2014) 4973-4980. https://doi.org/10.1016/j.ijhydene.2014.01.048
236. Hung Q. Pham, Toan Mai, Nguyen-Nguyen Pham-Tran, Y. Kawazoe, H. Mizuseki, and Duc Nguyen-Manh
Engineering of Band Gap in Metal-Organic Frameworks by Functionalizing Organic Linker: A Systematic Density Functional Theory Investigation
J. Phys. Chem. C, 118 (2014) 4567-4577. https://doi.org/10.1021/jp405997r
237. Minwoong Joe, Young-Kyu Han, Kwang-Ryeol Lee, H. Mizuseki, and Seungchul Kim
An Ideal Polymeric C60 Coating on a Si Electrode for Durable Li-ion Batteries
Carbon 77 (2014) 1140-1147. https://doi.org/10.1016/j.carbon.2014.06.049
238. R. V. Belosludov, R. K. Zhdanov, O. S. Subbotin, H. Mizuseki, Y. Kawazoe, and V. R. Belosludov
Theoretical Study of Hydrogen Storage in Binary Hydrogen-methane Clathrate Hydrates
J. Renewable Sustainable Energy 6 (2014) 053132. https://doi.org/10.1063/1.4899075
239. L. Zhang, Z. Zeng, H. Xie, Y. Zhang, Y. Lu, A. Yoshikawa, H. Mizuseki, and Y. Kawazoe
A Comparative Study of Lattice Boltzmann Models for Incompressible Flow
Comput. Math. Appl., 68 (2014) 1446-1466. https://doi.org/10.1016/j.camwa.2014.09.010
240. S. V. J. Yuvaraj, O. S. Subbotin, R. V. Belosludov, V. R. Belosludov, K. Kanie, K. Funaki, A. Muramatsu, T. Nakamura, H. Mizuseki, and Y. Kawazoe
Theoretical Evaluation on Solubility of Synthesized Task Specific Ionic Liquids in Water
J. Mol. Liq., 200 (2014) 232-237. https://doi.org/10.1016/j.molliq.2014.10.028
241. V. Wang, W. Xiao, L.-J. Kang, R.-J. Liu, H. Mizuseki, and Y. Kawazoe
Sources of n-type Conductivity in GaInO3
J. Phys. D: Appl. Phys., 48 (2015) 015101. https://doi.org/10.1088/0022-3727/48/1/015101
242. Pooja Srivastava, K. P. S. S. Hembram, H. Mizuseki, Kwang-Ryeol Lee, Sang Soo Han, and Seungchul Kim
Tuning the Electronic and Magnetic Properties of Phosphorene by Vacancies and Adatoms
J. Phys. Chem. C, 119 (2015) 6530-6538. https://doi.org/10.1021/jp5110938
243. Pooja Srivastava, Mincheol Shin, Kwang-Ryeol Lee, H. Mizuseki, and Seungchul Kim
The Schottky Barrier Modulation at PtSi/Si Interface by Strain and Structural Deformation
AIP Advances, 5 (2015) 087109. https://doi.org/10.1063/1.4928323
244. N. S. Venkataramanan, A. Suvitha, H. Mizuseki, and Y. Kawazoe
Computational Study on the Interactions of Mustard Gas with Cucurbituril Macrocycles
Int. J. Quantum Chem., 115 (2015) 1515-1525. https://doi.org/10.1002/qua.24964
245. Jisun Han, Soonjae Lee, Keunsu Choi, Jinhong Kim, Daegwon Ha, Chang-Gu Lee, Byungryul An, Sang-Hyup Lee, H. Mizuseki, Jae-Woo Choi, and Shinhoo Kang
Effect of Nitrogen Doping on Titanium Carbonitride-derived Adsorbents used for Arsenic Removal
J. Hazard. Mater., 302 (2016) 375-385. https://doi.org/10.1016/j.jhazmat.2015.10.001
246. Avanish Mishra, Pooja Srivastava, H. Mizuseki, Kwang-Ryeol Lee, and Abhishek K. Singh
Isolation of Pristine MXene from Nb4AlC3 MAX Phase: A First-Principles Study
Phys. Chem. Chem. Phys., 18 (2016) 11073-11080. https://doi.org/10.1039/C5CP07609A
247. J.-T. Wang, Changfeng Chen, Han-Dong Li, H. Mizuseki, and Y. Kawazoe
Three-Dimensional Carbon Allotropes Comprising Phenyl Rings and Acetylenic Chains in sp+sp2 Hybrid Networks
Sci. Rep., 6 (2016) 24665. https://doi.org/10.1038/srep24665
248. Pooja Srivastava, Avanish Mishra, H. Mizuseki, Kwang-Ryeol Lee, and Abhishek K. Singh
Mechanistic Insight into the Chemical Exfoliation and Functionalization of Ti3C2 MXene
ACS Appl. Mater. Interfaces, 8 (2016) 24256-24264. https://doi.org/10.1021/acsami.6b08413
249. Young-Jin Ko, Keunsu Choi, Soonjae Lee, Jung-Min Cho, Heon-Jin Choi, Seok Won Hong, Jae-Woo Choi, H. Mizuseki, and Wook-Seong Lee
Chromate Adsorption Mechanism on Nanodiamond-derived Onion-like Carbon
J. Hazard. Mater., 320 (2016) 368-375. https://doi.org/10.1016/j.jhazmat.2016.08.041
250. Avanish Mishra, Pooja Srivastava, Abel Carreras, Isao Tanaka, H. Mizuseki, Kwang-Ryeol Lee, and Abhishek K. Singh
Atomistic Origin of Phase Stability in Oxygen Functionalized MXene: A Comparative Study
J. Phys. Chem. C, 121 (2017) 18947-18953. https://doi.org/10.1021/acs.jpcc.7b06162
251. Young-Jin Ko, Keunsu Choi, Jun-Yong Kim, Inho Kim, Doo Seok Jeong, Heon-Jin Choi, H. Mizuseki, and Wook-Seong Lee
Onion-like Carbon as Dopant/Modification-free Electrocatalyst for [VO]2+/[VO2]+ Redox Reaction: Performance-control Mechanism
Carbon, 127 (2018) 31-40. https://doi.org/10.1016/j.carbon.2017.10.073
252. J.-T. Wang, Changfeng Chen, H. Mizuseki, and Y. Kawazoe
New Carbon Allotropes in sp+sp3 Bonding Networks Consisting of C8 Cubes
Phys. Chem. Chem. Phys., 20 (2018) 7962-7967. https://doi.org/10.1039/C7CP08380G
253. Zhen-Zhen Li, Jia Chen, Simin Nie, Lifang Xu, H. Mizuseki, Hongming Weng, and Jian-Tao Wang
Orthorhombic Carbon oC24: A Novel Topological Nodal Line Semimetal
Carbon, 133 (2018) 39-43. https://doi.org/10.1016/j.carbon.2018.03.003
254. Babu Ram and H. Mizuseki
Tetrahexcarbon: A Two-dimensional Allotrope of Carbon
Carbon, 137 (2018) 266-273. https://doi.org/10.1016/j.carbon.2018.05.034
255. Arunkumar Chitteth Rajan, Avanish Mishra, Swanti Satsangi, Rishabh Vaish, H. Mizuseki, Kwang-Ryeol Lee, and Abhishek K. Singh
Machine-Learning Assisted Accurate Band Gap Predictions of Functionalized MXene
Chem. Mater., 30 (2018) 4031-4038. https://doi.org/10.1021/acs.chemmater.8b00686
256. Young-Jin Ko, Keunsu Choi, Soonjae Lee, Kyung-Won Jung, Seokwon Hong, H. Mizuseki, Jae-Woo Choi, and Wook-Seong Lee
Strong Chromate-adsorbent based on Pyrrolic Nitrogen Structure: An Experimental and Theoretical Study on the Adsorption Mechanism
Water Research, 145 (2018) 287-296. https://doi.org/10.1016/j.watres.2018.08.033
257. Zhen-Zhen Li, Jian-Tao Wang, H. Mizuseki, and Changfeng Chen
Computational Discovery of a New Rhombohedral Diamond Phase
Phys. Rev. B, 98 (2018) 094107. https://doi.org/10.1103/PhysRevB.98.094107
258. Avanish Mishra, Swanti Satsangi, Arunkumar Chitteth Rajan, H. Mizuseki, Kwang-Ryeol Lee, and Abhishek K. Singh
Accelerated Data-Driven Accurate Positioning of the Band Edges of MXenes
J. Phys. Chem. Lett., 10 (2019) 780-785. https://doi.org/10.1021/acs.jpclett.9b00009
259. Kun Bu, Jian-Tao Wang, Zhen-Zhen Li, H. Mizuseki, and Y. Kawazoe
A Superhard Orthorhombic Carbon with all Six-membered-ring in sp3 Bonding Networks
Phys. Lett. A, 383 (2019) 2809-2812. https://doi.org/10.1016/j.physleta.2019.05.051
260. Xiaowei Li, H. Mizuseki, Sung Jin Pai, and Kwang-Ryeol Lee
Reactive Molecular Dynamics Simulation of the Amorphous Carbon Growth: Effect of the Carbon Triple Bonds
Comput. Mater. Sci., 169 (2019) 109143. https://doi.org/10.1016/j.commatsci.2019.109143
261. Babu Ram and H. Mizuseki
C568: A New Two-dimensional sp2-sp3 Hybridized Allotrope of Carbon
Carbon, 158 (2020) 827-835. https://doi.org/10.1016/j.carbon.2019.11.062
262. Babu Ram and H. Mizuseki
Cmme-SnS: A Two-dimensional Tin Sulfide Nanosheet
J. Mater. Chem. A, 8 (2020) 21219-21226. https://doi.org/10.1039/D0TA05598K
263. Jian-Tao Wang, Changfeng Chen, and H. Mizuseki
Body Centered Cubic Carbon BC14: An All-sp3 Bonded Full-fledged Pentadiamond
Phys. Rev. B, 102 (2020) 184106. https://doi.org/10.1103/PhysRevB.102.184106
264. H. Mizuseki, Jessiel Siaron Gueriba, Melvin John F. Empizo, N. Sarukura, Y. Kawazoe, and K. Ohkawa
Atomistic Origin of Compositional Pulling Effect in Wurtzite (B, Al, In)xGa1-xN: A First-principles Study
J. Appl. Phys., 130 (2021) 035704. https://doi.org/10.1063/5.0050102
265. Vei Wang, Gang Tang, Ya-Chao Liu, Ren-Tao Wang, H. Mizuseki, Yoshiyuki Kawazoe, Jun Nara, and Wen Tong Geng
High-Throughput Computational Screening of Two-Dimensional Semiconductors
J. Phys. Chem. Lett., 13 (2022) 11581-11594. https://doi.org/10.1021/acs.jpclett.2c02972
266. H. Mizuseki, R. Sahara, and K. Hongo
Order-disorder Competition in Equiatomic 3d-transition-metal Quaternary Alloys: Phase Stability and Electronic Structure
Sci. Technol. Adv. Mater.: Methods, 3 (2023) 2153632. https://doi.org/10.1080/27660400.2022.2153632
267. Jessiel Siaron Gueriba, H. Mizuseki, Melvin John F. Empizo, Kohei Yamanoi, Nobuhiko Sarukura, Eiichi Tamiya, Yoshiyuki Kawazoe, Kazuaki Akaiwa, Isao Takahashi, and Akira Yoshikawa
Formation Energy Crossings in Ga2O3-Al2O3 Quasibinary System: Ordered Structures and Phase Transitions in (AlxGa1-x)2O3
Jpn. J. Appl. Phys., 62 (2023) 065502. https://doi.org/10.35848/1347-4065/acd42c
268. Jessiel Siaron Gueriba, H. Mizuseki, Marilou Cadatal-Raduban, Nobuhiko Sarukura, Yoshiyuki Kawazoe, Yosuke Nagasawa, Akira Hirano, and Hiroshi Amano
Metastable Atomic-ordered Configurations for Al1/2Ga1/2N Predicted by Monte–Carlo Method based on First-Principles Calculations
J. Phys.: Condens. Matter, 36 (2024) 135001. https://doi.org/10.1088/1361-648X/ad1137
269. H. Mizuseki, Jessiel Siaron Gueriba, Marilou Cadatal-Raduban, Nobuhiko Sarukura, Eiichi Tamiya, and Yoshiyuki Kawazoe
Ordered Phases in Ternary Wurtzite Group-III Nitrides: A First-principles Study
J. Appl. Phys., 135 (2024) 145701. https://doi.org/10.1063/5.0202068
学会発表リスト
1. K. Shibata, H. Mizuseki, and K. Suzuki
A Neutron Scattering Study of Low-Energy Modes and Medium-Range Correlated Motions in Pd79Ge21 Alloy Glass
Fifth International Conference on the Structure of Non-Crystalline Materials, NCM5
(Sendai, Japan, September 2-6, 1991.)
2. 水関博志、柴田薫、鈴木謙爾
中性子散乱によるPd79Ge21非晶質合金の低振動数原子振動の研究
日本物理学会1991年秋の分科会(北海道大学、札幌)1991年9月
3. 水関博志、柴田薫、鈴木謙爾
中性子散乱によるPd79Ge21非晶質合金の低振動数原子振動の研究II
日本物理学会1992年秋の分科会(東京大学、東京)1992年9月
4. K. Shibata, H. Mizuseki, and K. Suzuki
Low-Energy Modes and Medium-Range Correlated Motions in Pd79Ge21 Alloy Glass
The Fifth International Symposium on Advanced Nuclear Energy Research
(JAERI, Mito, Japan, March 10-12, 1993.)
5. 水関博志、柴田薫、蔡安邦、鈴木謙爾、増本健
Al-Cu系準結晶の低エネルギー原子運動の研究
日本物理学会1993年秋の分科会(岡山大学、岡山)1993年10月
6. 水関博志、柴田薫、蔡安邦、鈴木謙爾、増本健
Al-Cu系準結晶の低エネルギー励起モード
第2回中性子シンポジウム(高エネルギー物理学研究所、つくば)1993年12月
7. 水関博志、柴田薫、蔡安邦、鈴木謙爾、増本健
Al-Cu系準結晶の低エネルギー原子運動の研究 II
日本物理学会第49回年会(福岡工業大学、福岡)1994年3月
8. 水関博志、柴田薫、蔡安邦、鈴木謙爾、増本健
中性子回折によるAl-Cu系準結晶中のフェイゾン歪の評価
日本物理学会1994年秋の分科会(静岡大学、静岡)1994年9月
9. H. Mizuseki, K. Shibata, and K. Suzuki
An Interpretation of the Low Energy Excitations on Pd79Ge21 Alloy Glass within the Soft-Potential Model
International Conference on Neutron Scattering (ICNS '94)
(Sendai International Center, Sendai, Japan, October 11-14, 1994.)
10. H. Mizuseki, M. Ishihara, X. Hu, Y. Hashi, and Y. Kawazoe
Spin-Reorientation Transition in Superlattices by Large Scale Dynamic Simulation
The 117th Meeting of JIM
(Honolulu, HI, U.S.A., December 13-15, 1995.)
11. H. Mizuseki, M. Ishihara, X. Hu, Y. Kawazoe, and N. Ohta
Magnetic Multi-Valued Recording by New Magnetic Configurations in 2D and 3D Artificial Lattices
INTERMAG'96
(Seattle, WA, U.S.A., April 9-12, 1996.)
12. H. Mizuseki, M. Ishihara, X. Hu, Y. Kawazoe, and N. Ohta
Magnetic Multi-Valued Magneto-Optical Recording Using Magnetic Anisotropic Artificial Lattices
Magneto-Optical Recording International Symposium '96 (MORIS'96)
(Noordwijkerhout, The Netherlands, April 29 - May 2, 1996.)
13. 水関博志、田中一美、胡暁、大野かおる、川添良幸
DLA成長における外乱の効果
日本金属学会1996年春期大会(千葉工業大学、習志野)1996年3月
14. 水関博志、田中一美、菊池圭子、一関京子、大野かおる、川添良幸
重力の影響を考慮した凝固過程のシミュレーション
日本金属学会1996年秋期大会(北海道大学、札幌)1996年9月
15. 水関博志、菊池圭子、田中一美、大野かおる、川添良幸
結晶成長における外乱の効果
日本金属学会1996年秋期大会(北海道大学、札幌)1996年9月
16. 水関博志、田中一美、菊池圭子、大野かおる、川添良幸
外乱が存在する場合のDLA成長シミュレーション
日本物理学会第52回年会(名城大学、名古屋)1997年3月
17. H. Mizuseki, K. Tanaka, K. Kikuchi, K. Ohno, and Y. Kawazoe
A New Model of DLA under High Magnetic Field
International Conference on Advanced Materials '97 / The European Materials Research Society'97
(Strasbourg, France, June 16-20, 1997.)
18. H. Mizuseki and Y. Kawazoe (Invited)
Modelling of Multi-Valued Magneto-Optical Recording in 3D Artificial Lattices
International Symposium on High Density Magnetic Recording Medium
(Shanghai, China, June 22-24, 1997.)
19. H. Mizuseki, K. Kikuchi, K. Tanaka, M. Ishihara, and Y. Kawazoe
Modelling of Multi-Valued Magneto-Optical Recording in Granular Materials
Magneto-Optical Recording International Symposium
& International Symposium on Optical Memory '97 (Joint MORIS/ISOM'97),
(Yamagata, Japan, October 27-31, 1997.)
20. H. Mizuseki, K. Esfarjani, Z.-Q. Li, K. Ohno, Y. Akiyama, K. Ichinoseki, and Y. Kawazoe
Efficiency of Parallel Machine for Large-Scale Simulation in Computational Physics
International Symposium on High Performance Computing'97, ISHPC'97
(Fukuoka, Japan, November 4-6, 1997.)
21. 水関博志、吉川彰、島村清史、福田承生、川添良幸
共晶体の組織形成の環境依存性の研究
日本金属学会1998年春期大会(工学院大学、東京)1998年3月
22. 水関博志、川添良幸
ハイブリッドモデルによる結晶成長のシミュレーション研究
日本金属学会1998年秋期大会(愛媛大学、松山)1998年9月
23. H. Mizuseki, Y. Jin, J.-Z. Yu, and Y. Kawazoe
Cluster Growth in Cluster Beam Deposition Process by Direct Simulation Monte Carlo
Magneto-Optical Recording International Symposium '99 (MORIS'99)
(Monterey, CA, U.S.A., January 10-13, 1999.)
24. 水関博志、Y. Jin、余京智、川添良幸
モンテカルロ直接法によるクラスター成長のシミュレーション研究
日本金属学会1999年春期大会(東京工業大学、東京)1999年3月
25. H. Mizuseki and Y. Kawazoe
Study of an Electrochemical Deposition Process by Computer Simulation Based on Multiparticle Diffusive Aggregation
IUMRS-ICAM'99,
(Beijing, China, June 14-18, 1999.)
26. Y. Jin, H. Mizuseki, J.-Z. Yu, and Y. Kawazoe
Direct Simulation Monte Carlo for Cluster Growth Process in Rarefied Gas
IUMRS-ICAM'99,
(Beijing, China, June 14-18, 1999.)
27. H. Mizuseki, Y. Jin, Y. Kawazoe, and L. T. Wille
Magnetic Cluster Growth Processes by Direct Simulation Monte Carlo Method
44th MMM (Magnetism & Magnetic Materials)
(San Jose, CA, U.S.A., November 15-18, 1999.)
28. 水関博志、川添良幸、L. T. Wille
モンテカルロ直接法によるクラスター成長のシミュレーション研究
第4回超微粒子・クラスター懇談会(仙台)2000年5月
29. H. Mizuseki, K. Hongo, Y. Kawazoe, and L. T. Wille
Nano-scale Cluster Growth and Deposition Process by Direct Simulation Monte Carlo Method
International Symposium on Research and Education in the 21st Century (ISRE2000),
International Workshop on Materials Design by Computer Simulation at Atom and Electron Level
(Sendai, Japan, August 18-19, 2000.)
30. H. Mizuseki, K. Hongo, Y. Kawazoe, and L. T. Wille
Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo Method
Fifth International Conference on Nanostructured Materials (NANO2000)
(Sendai, Japan, August 20-25, 2000.)
31. 水関博志、本郷研太、川添良幸
モンテカルロ直接法によるクラスター堆積過程のシミュレーション研究
日本金属学会2000年秋期大会(名古屋大学、名古屋)2000年9月
32. R. V. Belosludov, H. Mizuseki, K. Ichinoseki, and Y. Kawazoe
Simulation Study on Polyaniline Covered with Cyclodextrins for Molecular Device
4th International Symposium on InterMaterials (IMA4)
(Osaka, Japan, February 6-7, 2001.)
33. 水関博志, C. Majumder, H. Chen, J. Wu, K. Esfarjani, 西松毅, V. Kumar, 川添良幸
導電性高分子配線の電気伝導シミュレーション研究
日本物理学会第56回年会(中央大学、東京)2001年3月
34. H. Mizuseki, K. Hongo, Y. Kawazoe, and L. T. Wille
Multiscale Simulation of Cluster Growth and Deposition Processes by Direct Simulation Monte Carlo Method
The European Materials Research Society'01 (E-MRS)
(Strasbourg, France, June 5-8, 2001.)
35. 水関博志, C. Majumder, R. V. Belosludov, A. A. Farajian, J.-T. Wang, H. Chen, 川添良幸
導電性高分子配線の電気伝導シミュレーション研究
応用物理学会秋季講演会(愛知工業大学、豊田市)2001年9月
36. 王建涛、水関博志、川添良幸
Si(001)表面にあるBiダイマーラインの構造及び電子的性質
日本金属学会2001年秋期大会(九州産業大学、福岡)2001年9月
37. H. Mizuseki, K. Hongo, Y. Kawazoe, and L. T. Wille
Multiscale Modeling on Cluster Deposited Thin Film
APS March Meeting 2002
(Indianapolis, IN, U.S.A., March 18-22, 2002.)
38. H. Chen, J.-Q. Lu, J. Wu, 野手竜之介, 水関博志, 川添良幸
第一原理分子軌道法によるベンゼンの導電性評価
応用物理学会春季講演会(東海大学、平塚市)2002年3月
39. 水関博志、五十嵐伸昭、R. V. Belosludov, A. A. Farajian、川添良幸
第一原理計算によるフラーレンを用いた分子太陽電池の評価
応用物理学会春季講演会(東海大学、平塚市)2002年3月
40. C. Majumder、水関博志、川添良幸
第一原理計算によるAu(111)表面へのチオフェン分子吸着の解明
応用物理学会春季講演会(東海大学、平塚市)2002年3月
41. H. Mizuseki, K. Hongo, Y. Kawazoe, and L. T. Wille
Hybrid Model Simulation on Cluster Growth and Deposition Processes
MRS Spring 2002
(San Francisco, CA, U.S.A., April 1-5, 2002.)
42. H. Mizuseki, C. Majumder, R. V. Belosludov, A. Farajian, J.-T. Wang, H. Chen, and Y. Kawazoe
Simulation Study on Structure and Electrical Conductivity of Aromatic Molecules for Nanoscale Device
MRS Spring 2002
(San Francisco, CA, U.S.A., April 1-5, 2002.)
43. C. Majumder、水関博志、川添良幸
第一原理計算によるAu(111)表面へのチオフェン分子吸着の解明
超微粒子とクラスター懇談会第6回研究会・ 第2回つくば地区合同フォーラム -クラスター・超微粒子・ナノ構造- 合同シンポジウム 2002年5月
44. 水関博志、五十嵐伸昭、R. V. Belosludov, A. A. Farajian、川添良幸
第一原理計算によるフラーレンを含む超分子太陽電池の評価
超微粒子とクラスター懇談会第6回研究会・ 第2回つくば地区合同フォーラム -クラスター・超微粒子・ナノ構造- 合同シンポジウム 2002年5月
45. H. Mizuseki, K. Niimura, C. Majumder, and Y. Kawazoe
Theoretical Study of the Alkyl Derivative C37H50N4O4 Molecule for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
The European Materials Research Society'02 (E-MRS)
(Strasbourg, France, June 18-21, 2002.)
46. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of Phthalocyanine - Fullerene Complex for a High Efficiency Photovoltaic Device Using Ab-Initio Electronic Structure Calculation
The European Materials Research Society'02 (E-MRS)
(Strasbourg, France, June 18-21, 2002.)
47. H. Mizuseki (Invited)
Theoretical Study of Organic Molecule - Fullerene Mixture for a High Efficiency Photovoltaic Device
Shanghai International Nanotechnology Cooperation Symposium(SINCS) 2002
(Shanghai, China, July 30 - August 1, 2002.)
48. R. V. Belosludov,H. Mizuseki, H. Sato, A. A. Farajian, and Y. Kawazoe
Isolated Molecular Wire based on Conducting Polymer Chain Encapsulated in Molecular Nanotube
Shanghai International Nanotechnology Cooperation Symposium(SINCS) 2002
(Shanghai, China, July 30 - August 1, 2002.)
49. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study on Chlorin-Fullerene Supramolecular Complex for Photovoltaic Device
International Conference on Solid State Devices and Materials (SSDM2002)
(Nagoya, Japan, September 17-19, 2002.)
50. A. A. Farajian, R. V. Belosludov、水関博志、川添良幸
Benzene-1,4-dithiolateの導電特性計算:金電極接続の効果
応用物理学会秋季講演会(新潟大学、新潟市)2002年9月
51. H. Mizuseki, K. Niimura, C. Majumder, and Y. Kawazoe
Theoretical Study of a Donor - Spacer - Acceptor Structure Molecule for Use as a Stable Molecular Rectifier: Geometric and Electronic Structures
5th International Conference on Nano-Molecular Electronics (ICNME 2002)
(Kobe, Japan, December 10-12, 2002.)
52. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of p-Conjugated Molecule - Fullerene Mixture for a High Efficiency Photovoltaic Device
6th Engineering Foundation Conference on Molecular-Scale Electronics
(Key West, FL, U.S.A., December 15-19, 2002.)
53. H. Mizuseki, K. Niimura, C. Majumder, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of Donor - Spacer - Acceptor Structure Molecule for Stable Molecular Rectifier
2003 Nanotechnology Conference and Trade Show, NanoTech2003
(San Francisco, CA, U.S.A., February 23-27, 2003.)
54. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Organic Molecule - Fullerene Mixture for a High Efficiency Photovoltaic Device: Theoretical Study
2003 Nanotechnology Conference and Trade Show, NanoTech2003
(San Francisco, CA, U.S.A., February 23-27, 2003.)
55. A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe
Nano-sensors based on Nanotubes: Deformed Nanotubes Transport
2003 Nanotechnology Conference and Trade Show, NanoTech2003
(San Francisco, CA, U.S.A., February 23-27, 2003.)
56. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Effects of Gold Contacts on Transport through Benzene Molecule
2003 Nanotechnology Conference and Trade Show, NanoTech2003
(San Francisco, CA, U.S.A., February 23-27, 2003.)
57. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study on Metal Porphyrin Chain for Use as a Nanoscale Device
APS March Meeting 2003
(Austin, TX, U.S.A., March 3-7, 2003.)
58. H. Mizuseki, K. Niimura, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study of Donor - Spacer - Acceptor Structure Molecule for Molecular Rectifier
APS March Meeting 2003
(Austin, TX, U.S.A., March 3-7, 2003.)
59. A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe
Nano-sensors based on Nanotubes: Deformed Nanotubes Transport
APS March Meeting 2003
(Austin, TX, U.S.A., March 3-7, 2003.)
60. A. A. Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Effects of Gold Contacts on Transport through Benzene Molecule
APS March Meeting 2003
(Austin, TX, U.S.A., March 3-7, 2003.)
61. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, C. Majumder, and Y. Kawazoe
Theoretical Study on Junction of Metal Porphyrin for Use as a Nanoscale Device
MRS Spring 2003
(San Francisco, CA, U.S.A., April 21-25, 2003.)
62. 水関博志、五十嵐伸昭、菊地良幸、R. V. Belosludov, A. A. Farajian, H. Chen, 川添良幸
第一原理計算と遺伝的アルゴリズムによるナノスケールデバイス設計
ナノ学会第1回大会 神戸大学 2003年5月29−31日
63. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Genetic Algorithm Approach on Aromatic Molecules for Nanoscale Device
The European Materials Research Society'03 (E-MRS)
(Strasbourg, France, June 10-13, 2003.)
64. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study on Junctions in Porphyrin Chains for Nanoscale Devices
The European Materials Research Society'03 (E-MRS)
(Strasbourg, France, June 10-13, 2003.)
65. 水関博志、R. V. Belosludov, A. A. Farajian、川添良幸
分子デバイス用シクロデキストリン−ポリチオフェン分子被覆導線の構造と電子状態 III
応用物理学会秋季講演会(福岡大学、福岡市)2003年9月
66. 水関博志、R. V. Belosludov、A. A. Farajian、H. Chen、五十嵐伸昭、川添良幸
第一原理計算による分子デバイス設計
日本金属学会2003年秋期大会(北海道大学、札幌)2003年10月
67. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Genetic Algorithm Approach to Nanoscale Devices: A Case Study of Molecular Wire
Nanoscience and Nanotechnology on Quantum Particles, NNQP2003
(Tokyo, Japan, December 15-17, 2003.)
68. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Genetic Algorithm Approach to Functional Molecules for Nanoscale Devices
Joint Conference of International Conference of Molecular Simulation (ICMS) and Computational Science Workshop 2004 (CSW2004),
(Tsukuba, Japan, January 13-15, 2004.)
69. H. Mizuseki (Invited)
Theoretical Study of Molecular Electronics: A Case Study of Unimolecular Rectifier using Porphyrin Polymer
IEEE Nanoscale Devices & System Integration, IEEE-NDSI
(Miami, FL, U.S.A., February 15-19, 2004.)
70. 水関博志、R. V. Belosludov、A. A. Farajian、川添良幸
第一原理計算による分子デバイス設計
第2回ナノテクノロジー総合シンポジウム JAPAN NANO 2004(東京ビックサイト、東京)2004年3月
71. R. V. Belosludov、A. A. Farajian、水関博志、川添良幸
第一原理計算による分子被覆導線の電子状態と電気伝導特性
応用物理学会春季講演会(東京工科大学、八王子)2004年3月
72. 水関博志、菊地良幸、馬場英年、五十嵐伸昭、R. V. Belosludov、A. A. Farajian、川添良幸
第一原理計算によるポルフィリン分子の電気伝導性の検討
日本金属学会2004年春期大会(東京工業大学、東京)2004年3月
73. 水関博志、馬場英年、五十嵐伸昭、R. V. Belosludov、A. A. Farajian、O. V. Pupysheva、川添良幸
第一原理計算による分子デバイス設計 II
日本金属学会2004年春期大会(東京工業大学、東京)2004年3月
74. 水関博志、五十嵐伸昭、R. V. Belosludov、A. A. Farajian、O. V. Pupysheva、川添良幸
第一原理計算および遺伝的アルゴリズムによる分子デバイス用材料の高速設計
ナノ学会第2回大会 東京 2004年5月9−11日
75. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Genetic Algorithm Approach for Nanoscale Conducting Wires
The European Materials Research Society'04 (E-MRS)
(Strasbourg, France, May 24-29, 2004.)
76. H. Mizuseki, H. Baba, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Approach for Supramolecular Devices based on Phthalocyanine Dimer
The European Materials Research Society'04 (E-MRS)
(Strasbourg, France, May 24-29, 2004.)
77. H. Mizuseki, Y. Kikuchi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Study on Junction of Metal Porphyrin Oligomer for Molecular Nanoelectronics
The European Materials Research Society'04 (E-MRS)
(Strasbourg, France, May 24-29, 2004.)
78. A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Electronic Transport through Bent Carbon Nanotube Heterojunction for Nano-Sensors
The European Materials Research Society'04 (E-MRS)
(Strasbourg, France, May 24-29, 2004.)
79. R. V. Belosludov, A. A. Farajian, H. Mizuseki, and Y. Kawazoe
Theoretical Study of Supramolecular Enamel Wire based on Cyclodextrin and Conducting Polymer
The European Materials Research Society'04 (E-MRS)
(Strasbourg, France, May 24-29, 2004.)
80. H. Mizuseki and Y. Kawazoe (Invited)
Advanced Ab Initio Simulations Applied to Nanotechnology
The 3rd International Conference on Computational Modeling and Simulation of Materials (CIMTEC)
(Acireale (CT) Italy, May 30 - June 4, 2004.)
81. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Ultra-fast Designing of Functional Materials for Molecular Devices by First Principles and Genetic Algorithm Approaches
The Second Conference of the Asian Consortium on Computational Materials Science (ACCMS-2)
(Novosibirsk, Russia, July 14-16, 2004.)
82. R. V. Belosludov、A. A. Farajian、水関博志、川添良幸
第一原理計算による分子被覆導線の電気伝導特性
応用物理学会秋季講演会(東北学院大学、仙台)2004年9月
83. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Genetic Algorithm Approach to Functional Molecules for Nanoscale Devices
International Conference on Solid State Devices and Materials (SSDM2004)
(Tokyo, Japan, September 15-17, 2004.)
84. 水関博志、馬場英年、五十嵐伸昭、R. V. Belosludov、A. A. Farajian、川添良幸
第一原理計算によるπ共役系分子の電気伝導性
日本金属学会2004年秋期大会(秋田大学、秋田)2004年9月
85. 水関博志、馬場英年、五十嵐伸昭、R. V. Belosludov、A. A. Farajian、O. V. Pupysheva、川添良幸
第一原理計算によるナノデバイス設計
日本金属学会2004年秋期大会(秋田大学、秋田)2004年9月
86. H. Mizuseki, H. Baba, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Approach for Transport Properties of Molecular Electronics based on Binuclear Phthalocyanine
Transport Phenomena in Micro and Nanodevices
(Kona Coast, HI, U.S.A., October 17-21, 2004.)
87. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Evolutionary Approach to Functional Oligomers for Nanoscale Devices
1st Conference on Advanced Nanotechnology: Research, Applications, and Policy
(Washington, DC, U.S.A., October 22-24, 2004.)
88. H. Mizuseki (Invited)
Combinatorial Approach on Organic Molecules for Nanoscale Devices
2nd International Symposium on Combinatorial Computational Chemistry
(Tohoku University, Sendai, Japan, November 20, 2004.)
89. Y. Kawazoe and H. Mizuseki (Invited)
Quantum Mechanical Computations to be able to Predict New Materials in Nanotechnology
MRS Fall 2004
(Boston, MA, U.S.A., November 29 - December 3, 2004.)
90. H. Mizuseki, H. Baba, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Electronic Structure and Transport Properties of Molecular Electronics based on Binuclear Phthalocyanine
6th International Conference on Nano-Molecular Electronics (ICNME 2004)
(Kobe, Japan, December 15-17, 2004.)
91. H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Theoretical Approach for Transport Properties of Porphyrin and Phthalocyanine Oligomers
7th Engineering Foundation Conference on Molecular-Scale Electronics
(San Diego, CA, U.S.A., January 23-26, 2005.)
92.水関博志、馬場英年、上原朋樹、五十嵐伸昭、R. V. Belosludov、A. A. Farajian、O. V. Pupysheva、川添良幸
第一原理計算によるナノデバイス用材料の導電性評価
日本金属学会2005年春期大会(横浜国立大学、横浜)2005年3月
93. R. V. Belosludov、A. A. Farajian、水関博志、川添良幸
第一原理計算による分子被覆導線のドーピング効果の検討
応用物理学会春季講演会(埼玉大学、大宮)2005年3月
94. H. Mizuseki and Y. Kawazoe (Invited)
Current Status of Nano-simulation in Japan
The 5th Korea-Japan Science and Technology Forum
(Seoul, Korea, April 26-28, 2005.)
95. H. Mizuseki (Invited)
Prediction of Nanoscale Materials by First Principles Calculations
International Workshop in Computational Materials Science, IWCMS
(Lanzhou University, Lanzhou, China, May 23-25, 2005.)
96.H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Evolutionary Approach on Organic Molecules for Nanoscale Devices
The 5th International Conference on Intelligent Processing and Manufacturing of Materials, IPMM'05
(Monterey, CA, U.S.A., July 19-23, 2005.)
97. F. Jiang, Y.-X. Zhou, H. Chen, R. Note, H. Mizuseki, Y. Kawazoe
Self-consistent Calculations of Transport through a Molecular Wire as an Open System
The 5th International Conference on Intelligent Processing and Manufacturing of Materials, IPMM'05
(Monterey, CA, U.S.A., July 19-23, 2005.)
98. H. Mizuseki and Y. Kawazoe
Current Status of Computational Materials Science for Molecular Devices
The Second China, Japan, and Korea Symposium on Materials Science
(Taiyuan, China, August 9-13, 2005.)
99. H. Mizuseki and Y. Kawazoe
Current Status of Computational Materials Science: Nanoelectronics and Computer Facilities
GIST/KAIST/Kyoto University/Tohoku University Joint Symposium on Advanced Materials
(Gwangju, Korea, August 18-20, 2005.)
100. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe (Invited)
Prediction of Nanoscale Materials by First Principles Calculations
The Third Asian Consortium on Computational Materials Science (ACCMS-3)
(Beijing, China, September 8-11, 2005.)
101. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe
Prediction of Electronic Transport Properties through Nanoscale Materials by First Principles Calculations
13th Foresight Conference on Advanced Nanotechnology
(San Francisco, U.S.A., October 22-27, 2005.)
102. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, and Y. Kawazoe
Prediction of Molecular Devices by First Principles Calculations
International Congress of Nanotechnology (ICNT) 2005
(San Francisco, CA, U.S.A., October 31 - November 4, 2005.)
103. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, T. Uehara, N. Igarashi, and Y. Kawazoe
Prediction of Transport Properties through Molecular Devices by First Principles Calculations
MRS Fall 2005
(Boston, MA, U.S.A., November 28 - December 2, 2005.)
104. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe
Electronic Transport Properties through Nanoscale Materials by First Principles Calculations
MRS Spring 2006
(San Francisco, CA, U.S.A., April 17-21, 2006.)
105. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, and Y. Kawazoe
Transport Properties through Individual Molecules by First Principles Calculations and Nonequilibrium Green's Function Formalism
2006 Nanotechnology Conference and Trade Show, NanoTech2006
(Boston, MA, U.S.A., May 7-11, 2006.)
106. H. Mizuseki, R. V. Belosludov, A. A. Farajian, T. Uehara, and Y. Kawazoe
Transport Properties through Ferrocene Molecules by First-principles Calculations and Nonequilibrium Green's Function Formalism
Atomistix 2006 Workshop
2006 Nanotechnology Conference and Trade Show, NanoTech2006
(Boston, MA, U.S.A., May 7-11, 2006.)
107. H. Mizuseki, R. V. Belosludov, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, N. Igarashi, T. Uehara, and Y. Kawazoe
Electronic Transport Properties through Molecular Wires by First Principles Calculations
The European Materials Research Society'06 (E-MRS)
(Nice, France, May 29 - June 2, 2006.)
108. H. Mizuseki, R. V. Belosludov, A. A. Farajian, T. Uehara, and Y. Kawazoe
Transport Properties through Ferrocene Molecules by First-principles Calculations and Nonequilibrium Green's Function Formalism
The European Materials Research Society'06 (E-MRS)
(Nice, France, May 29 - June 2, 2006.)
109. H. Mizuseki, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Transport Properties of Porphyrin and Phthalocyanine: Theoretical Approach
4th International Conference on Porphyrins and Phthalocyanines, ICPP-4
(Rome, Italy, July 2-7, 2006.)
110. H. Mizuseki, T. Uehara, R. V. Belosludov, S. U. Lee, A. A. Farajian, and Y. Kawazoe (Invited)
Transport Properties of Nanoscale Systems for Molecular Electronics Application
Working Group Meeting on Clusters and Nanomaterials of ACCMS
(Sendai, Japan, September 7-9, 2006.)
111. H. Mizuseki and Y. Kawazoe (Invited)
Transport Properties of Nanoscale Materials for Molecular Devices Application
International Symposium on Materials Chemistry (ISMC-2006)
(Mumbai, India, December 4-8, 2006.)
112. H. Mizuseki (Invited, Keynote)
Transport Properties of Nanoscale Materials for Molecular Wires Application
First International Congress on Nanoscience and Nanotechnology
(Tehran, Iran, December 18-20, 2006.)
113. H. Mizuseki, T. Uehara, R. V. Belosludov, S. U. Lee, A. A. Farajian, and Y. Kawazoe (Invited)
Transport Properties through Nanoscale Materials by First Principles Calculations
International Symposium on Interdisciplinary Science of Nanomaterials
(Sendai, Japan, January 22-23, 2007.)
114. H. Mizuseki, R. V. Belosludov, A. A. Farajian, and Y. Kawazoe
Effect of Metal Element on Transport Properties through Porphyrin: Theoretical Approach
General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, February 26-28, 2007.)
115. H. Mizuseki, R. V. Belosludov, A. A. Farajian, T. Uehara, and Y. Kawazoe
Transport Properties through Molecular Clusters by First-principles Calculations
Symposium on Size Selected Clusters 2007 (S3C2007)
(Brand, Austria, March 12-16, 2007.)
116. H. Mizuseki, H. Chen, R. V. Belosludov, S. U. Lee, and Y. Kawazoe
Transport Properties through Nanoscale Materials by First-principles Calculations
Frontiers in Computational Science of Nanoscale Transport (FCSNT)
(Tokyo, Japan, June 7-8, 2007.)
117. H. Mizuseki and Y. Kawazoe (Invited)
First Principles Modeling on Supercomputers: Transport Properties of Atomic and Molecular Wires
The 6th International Conference on Intelligent Processing and Manufacturing of Materials (IPMM)
(Salerno, Italy, June 25-29, 2007.)
118. H. Mizuseki, R. V. Belosludov, T. Uehara, and Y. Kawazoe
Transport Properties of Ferrocene-based Wires for Molecular Devices Application
The 6th International Conference on Intelligent Processing and Manufacturing of Materials (IPMM)
(Salerno, Italy, June 25-29, 2007.)
119. H. Mizuseki, T. Uehara, R. V. Belosludov, A. A. Farajian, N. Igarashi, and Y. Kawazoe
Ab Initio Study on Conductance Properties: A Case Study of Ferrocene Monomer and Dimer
Frontiers in Materials Sciences Perspective of Japan-Russia Collaboration, International Symposium of the 15th Anniversary of the Academic Exchange Agreement between Tohoku University and Siberian Branch of Russian Academy of Sciences
(Sendai International Center, Sendai, Japan, August 24, 2007.)
120. 水関博志、R. V. Belosludov、上原朋樹、五十嵐伸昭、川添良幸
第一原理計算によるフェロセンワイヤーの電気伝導性評価
応用物理学会秋季講演会(北海道工業大学、札幌)2007年9月
121. T. M. Inerbaev、佐原亮二、水関博志、川添良幸、中村崇
酸化インジウムの電子状態に対するすず、酸素および空孔の影響
応用物理学会秋季講演会(北海道工業大学、札幌)2007年9月
122. H. Mizuseki, R. V. Belosludov, T. Uehara, S. U. Lee, and Y. Kawazoe (Invited)
Transport Properties of Nanoscale Materials for Molecular Wire Applications: A Case Study of Ferrocene Dimers
The 4th Asian Consortium on Computational Materials Science (ACCMS-4)
(Seoul, Korea, September 12-16, 2007.)
123. 水関博志、R. V. Belosludov、A. A. Farajian、S. U. Lee、上原朋樹、五十嵐伸昭、川添良幸
第一原理計算によるフェロセンワイヤーの電気伝導性評価
第1回分子科学討論会2007(東北大学、仙台)2007年9月
124. H. Mizuseki and Y. Kawazoe (Invited)
Transport Properties of Atomic and Molecular Wires: First Principles Calculations
MRS Fall 2007
(Boston, MA, U.S.A., November 26-30, 2007.)
125. H. Mizuseki, R. V. Belosludov, S. U. Lee, A. A. Farajian, O. V. Pupysheva, C. Majumder, J.-T. Wang, H. Chen, and Y. Kawazoe
Transport Properties through Organic Materials by First Principles Calculations and Green's Function Approach
MRS Fall 2007
(Boston, MA, U.S.A., November 26-30, 2007.)
126. R. V. Belosludov, O. S. Subbotin, 水関博志, V. R. Belosludov, 川添良幸
水素クラスレートハイドレートの物理的および化学的性質:エネルギー貯蔵利用の観点からの理論的考察
材料における水素有効利用研究会(屋久島)2007年12月
127. H. Mizuseki and Y. Kawazoe
Electronic Structure of Oligothiophenes: Aromatic and Quinoid Structures
The Second General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, January 26-28, 2008.)
128. H. Mizuseki, R. V. Belosludov, S. U. Lee, and Y. Kawazoe
Transport Properties through Nanomaterials by First-principles Calculations
APS March Meeting 2008
(New Orleans, LA, U.S.A., March 10-14, 2008.)
129. T. M. Inerbaev, R. Sahara, H. Mizuseki, Y. Kawazoe, and T. Nakamura
Defect Concentration and Electronic Structure of Bulk Tin Dioxide
日本金属学会2008年春期大会(武蔵工業大学、東京)2008年3月
130. T. M. Inerbaev、佐原亮二、水関博志、川添良幸、中村崇
酸化インジウムと二酸化スズの電子状態に対する酸素および空孔の影響
ナノ学会第6回大会 九州大学 2008年5月7−9日
131. H. Mizuseki, N. Igarashi, R. Hayashi, R. V. Belosludov, S. U. Lee, and Y. Kawazoe
Design of Nanoscale Materials for Molecular Devices by First Principles and Genetic Algorithm Approaches
19th ME&D (The 19th International Conference on Molecular Electronics and Devices)
(Suwon, Korea, May 29-30, 2008.)
132. H. Mizuseki and Y. Kawazoe
Ab Initio Calculations of Quantum Transport through Atomic and Molecular Wires
CECAM workshop, Structural, Electronic and Transport Properties of Quantum Wires
(Lyon, France, June 9-12, 2008.)
133. H. Mizuseki, R. V. Belosludov, and Y. Kawazoe
First Principles Calculations on Fullerene-Based Supramolecular Complex for Photovoltaic Devices
US-Japan POLYMAT 2008 Summit: Innovations and Opportunities in Polymer Materials for Energy and Optoelectronic Devices
(Ventura, CA, U.S.A., August 10-13, 2008.)
134. N. S. Venkataramanan, H. Mizuseki, and Y. Kawazoe
Hydrogen Adsorption over Lithium-functionalized Calixarenes
US-Japan POLYMAT 2008 Summit: Innovations and Opportunities in Polymer Materials for Energy and Optoelectronic Devices
(Ventura, CA, U.S.A., August 10-13, 2008.)
135. H. Mizuseki and Y. Kawazoe
Electronic Structure of Oligothiophenes: Aromatic and Quinoid Structures
US-Japan POLYMAT 2008 Summit: Innovations and Opportunities in Polymer Materials for Energy and Optoelectronic Devices
(Ventura, CA, U.S.A., August 10-13, 2008.)
136. N. S. Venkataramanan, H. Mizuseki, and Y. Kawazoe
Ab Initio Study on Improving the Hydrogen Absorption of MOFs
日本金属学会2008年秋期大会(熊本大学、熊本)2008年9月
137. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe (Invited)
Prospect for Improved Hydrogen Storage
The 2008 Asian Conference on Nanoscience and Nanotechnology (AsiaNANO2008)
(Biopolis, Singapore, November 3-7, 2008.)
138. H. Mizuseki and Y. Kawazoe (Invited)
Transport Properties of Nanoscale Materials for Molecular Devices: An Ab Initio Theoretical Study
IEEE-TENCON 2008
(Hyderabad, India, November 18-21, 2008.)
139. R. Sahara, M. Iwamoto, O. Kikegawa, B. Saeed, R. Note, H. Mizuseki, M. Sluiter and Y. Kawazoe
Structural Optimization by TOhoku University Mixed-Basis Orbitals Ab Initio Computation Method (TOMBO): Case Study of Hydrides and Molecules
MRS 2008 Fall
(Boston, MA, U.S.A., December 1-5, 2008.)
140. H. Mizuseki, T. M. Inerbaev, R. Sahara, T. Nakamura, and Y. Kawazoe
Reducible and Nonreducible Defect Clusters in Tin-Doped Indium Oxide
MRS 2008 Fall
(Boston, MA, U.S.A., December 1-5, 2008.)
141. H. Mizuseki, R. V. Belosludov, S. U. Lee and Y. Kawazoe
Ab Initio Calculations of Quantum Transport through Molecular Wires
13th Advanced Heterostructures and Nanostructures Workshop(AHNW)- Workshop on Innovative Nanoscale Devices and Systems -
(Kohala Coast, HI, U.S.A., December 7-12, 2008.)
142. H. Mizuseki, R. V. Belosludov, S. U. Lee and Y. Kawazoe
Transport Properties of Nanoscale Materials for Molecular Devices: Green's Function Approach
Molecular Electronics IX
(Kauai, HI, U.S.A., December 12-15, 2008.)
143. N. S. Venkataramanan、佐原亮二、水関博志,川添良幸
第一原理計算によるリチウムを付加したカリックスアレーンの水素貯蔵研究
ナノ学会 ナノ構造・物性部会第1回研究会 神戸大学 2009/1/23-24
144. H. Mizuseki, R. Sahara, and Y. Kawazoe
Atomistic Evaluation of Grain Boundary in Silicon: Pair Distribution Function
The Third General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, February 16-18, 2009.)
145. H. Mizuseki, R. V. Belosludov, S. U. Lee, and Y. Kawazoe
Transport Properties of Nanoscale Materials by First-principles Calculations
APS March Meeting 2009
(Pittsburgh, PA, U.S.A., March 16-20, 2009.)
146. H. Mizuseki, R. Sahara, and Y. Kawazoe
Atomistic Modeling of the Grain Boundary in Silicon
APS March Meeting 2009
(Pittsburgh, PA, U.S.A., March 16-20, 2009.)
147. H. Mizuseki and Y. Kawazoe
Electronic Structure of Aromatic and Quinoidic Oligothiophenes by First-principles Calculations
APS March Meeting 2009
(Pittsburgh, PA, U.S.A., March 16-20, 2009.)
148. T. M. Inerbaev、佐原亮二、水関博志、川添良幸、中村崇
Reducibility of Tin-Doped Indium Oxide
日本金属学会2009年春期大会(東京工業大学、東京)2009年3月
149. N. S. Venkataramanan、佐原亮二、水関博志,川添良幸
Hydrogen Storage on MOFs and Organic Hosts
日本金属学会2009年春期大会(東京工業大学、東京)2009年3月
150. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
Theoretical Research for Improved Hydrogen Storage Materials
4th China-Japan Seminar on Hydrogen Storage Materials
(Guangzhou, China, April 10-14, 2009.)
151. 水関博志、佐原亮二、A. Suvitha、川添良幸
シリコン結晶粒界のシミュレーション研究
ナノ学会第7回大会 東京大学 2009年5月9-11日
152. Y. Kawazoe and H. Mizuseki
Computational Materials Design for Improved Hydrogen Storage Materials
4th UK - Japan Workshop on Solid-State Hydrogen Storage
(Tohoku University, Sendai, Japan, May 11-13, 2009.)
153. 水関博志
第一原理計算による水素貯蔵材料研究
第117回東北大学金属材料研究所講演会 2009年5月14-15日
154. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Atomistic Evaluation of Grain Boundary in Silicon
The European Materials Research Society'09 (E-MRS)
(Strasbourg, France, June 6-12, 2009.)
155. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
First Principles Calculations on Improved Hydrogen Storage Materials
Russian-Japanese Workshop (Review Conference) "State of Materials Research and New Trends in Materials Science"
(Novosibirsk, Russia, August 3-5, 2009.)
156. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Atomistic Modelling of Artificially Controlled Grain Boundaries in Multicrystalline Silicon
The 5th Conference of Asian Consortium on Computational Materials Science (ACCMS-5)
(Hanoi, Viet Nam, September 7-11, 2009.)
157. 水関博志、A. Suvitha、佐原亮二、川添良幸
Theoretical Investigation of Artificially Controlled Grain Boundaries in Multicrystalline Silicon
日本金属学会2009年秋期大会(京都大学、京都)2009年9月15日〜17日
158. N. S. Venkataramanan、水関博志、佐原亮二、川添良幸
First Principles Calculations on Hydrogen Storage Properties of MOFs, Organic Hosts, and BN Fullerenes
日本金属学会2009年秋期大会(京都大学、京都)2009年9月15日〜17日
159. H. Mizuseki (Invited)
Transport Properties of Quantum Wires by First-Principles Calculations
4th International Workshop on Surface Physics (IWSP2009)
(Lądek-Zdrój, Poland, September 21-25, 2009.)
160. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Artificially Controlled Grain Orientation in Bicrystalline Silicon: A Computational Study
19th International Photovoltaic Science and Engineering Conference and Exhibition (PVSEC-19)
(Jeju, Korea, November 9-13, 2009.)
161. A. Suvitha, N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
First Principle Calculations on Grain Boundary Impurity in Polycrystalline Silicon
19th International Photovoltaic Science and Engineering Conference and Exhibition (PVSEC-19)
(Jeju, Korea, November 9-13, 2009.)
162. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
First Principles Calculations on Storage Capacity of Hydrogen Storage Materials
MRS Fall 2009
(Boston, MA, U.S.A., November 30 - December 4, 2009.)
163. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Multiphysics Modeling of Grain Boundaries in Multicrystalline Silicon
MRS Fall 2009
(Boston, MA, U.S.A., November 30 - December 4, 2009.)
164. A. Suvitha, N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
First Principle Calculations on Impurity Effect in Silicon Grain Boundary
MRS Fall 2009
(Boston, MA, U.S.A., November 30 - December 4, 2009.)
165. 水関博志、A. Suvitha、佐原亮二、川添良幸
シミュレーションによるシリコン結晶粒界研究
ナノ学会 ナノ構造・物性部会第2回研究会 神戸大学 2010/1/22-23
166. H. Mizuseki, N. S. Venkataramanan, G. Chen, R. Sahara, and Y. Kawazoe
Theoretical Study on Alkali Atom Doping to Enhance the Storage Capacity of Materials
The 5th Japan-China Seminar on Hydrogen Storage Materials
(Tokyo, Japan, March 2, 2010.)
167. 水関博志、N. S. Venkataramanan、陳剛、R. V. Belosludov、A. Suvitha、佐原亮二、川添良幸
第一原理計算による持続可能なエネルギー材料評価
次世代スパコン物性科学分野研究会「新物質とエネルギー」(東京国際フォーラム、東京)2010年3月10−11日
168. 水関博志、Natarajan S. Venkataramanan、陳剛、M. Khazaei、佐原亮二、川添良幸
第一原理計算によるアルカリ金属をドープした材料の水素貯蔵性能評価
日本金属学会2010年春期大会(筑波大学、つくば)2010年3月28日〜30日
169. 水関博志、Ambigapathy Suvitha、佐原亮二、川添良幸
Tersoff ポテンシャルおよび第一原理計算によるシリコン結晶粒界評価
日本金属学会2010年春期大会(筑波大学、つくば)2010年3月28日〜30日
170. H. Mizuseki and Y. Kawazoe
Transport Properties of Molecular Wires by using First-principles Calculations and Nonequilibrium Green's Function Formalism
MRS Workshop Nanocontacts and Nanointerconnects
(San Francisco, CA, U.S.A., April 5, 2010.)
171. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
First-Principles Calculations on Alkali Atom Doping to Enhance the Storage Capacity of Materials
MRS Spring 2010
(San Francisco, CA, U.S.A., April 5-9, 2010.)
172. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Atomistic Modeling of Grain Boundaries in Multicrystalline Silicon
MRS Spring 2010
(San Francisco, CA, U.S.A., April 5-9, 2010.)
173. H. Mizuseki, S. U. Lee, R. V. Belosludov, and Y. Kawazoe
Transport Properties of Molecular Wires by using First-principles Calculations and Nonequilibrium Green's Function Formalism
MRS Spring 2010
(San Francisco, CA, U.S.A., April 5-9, 2010.)
174. 水関博志、N. S. Venkataramanan、陳剛、M. Khazaei、佐原亮二、川添良幸
第一原理計算による新規水素貯蔵材料の研究
ナノ学会第8回大会 岡崎コンファレンスセンター 2010年5月13-15日
175. H. Mizuseki, T. Oka, and Y. Kawazoe
First Principles Calculations on CO Oxidation Process on Pt and Pt-M(111) Alloys (M=Ru, Sn)
13th International Conference on Theoretical Aspects of Catalysis (ICTAC-13)
(Matsushima, Japan, June 21-25, 2010.)
176. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
Density Functional Theory Study on the Hydrogen Storage of the Lithium Functionalized MOF-5
Renewable Energy 2010 International Conference
(Pacifico Yokohama, Yokohama, Japan, 27 June - 2 July, 2010.)
177. H. Mizuseki, A. Suvitha, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
First-Principles Calculation on S3 Grain Boundary Transition Metal Impurities in Multicrystalline Silicon
Renewable Energy 2010 International Conference
(Pacifico Yokohama, Yokohama, Japan, 27 June - 2 July, 2010.)
178. H. Mizuseki, N. S. Venkataramanan, R. Sahara, G. Chen, M. Khazaei, and Y. Kawazoe
Theoretical Study on Improved Hydrogen Storage Materials
International Symposium on Metal-Hydrogen Systems (MH2010)
(Moscow, Russia, July 19-23, 2010.)
179. 水関博志
超大規模第一原理計算による新規水素貯蔵材料探索
東北大学金属材料研究所シンポジウム「計算材料科学の展望:次世代スパコンによる飛躍を目指して」(東北大学・金属材料研究所、仙台)2010年7月26−27日
180. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
Theoretical Study for Improving Hydrogen Storage on Metal-Organic Framework
2nd International Conference on Metal-Organic Frameworks and Open Framework Compounds (MOF2010)
(Marseille, France, September 5-8, 2010.)
181. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Theoretical Insights into Grain Boundaries in Multicrystalline Silicon
Psi_k-2010 conference
(Berlin, Germany, September 12-16, 2010.)
182. H. Mizuseki, N. A. Venkataramanan, R. Sahara, G. Chen, M. Khazaei, and Y. Kawazoe
First Principles Calculations on Improved Hydrogen Storage Materials
Psi_k-2010 conference
(Berlin, Germany, September 12-16, 2010.)
183. H. Mizuseki, S. U. Lee, R. V. Belosludov, H. Chen, and Y. Kawazoe
Transport Properties of Nanostructures by using First-principles Calculations and Nonequilibrium Green's function Formalism
Psi_k-2010 conference
(Berlin, Germany, September 12-16, 2010.)
184. A. Suvitha, N. S. Venkataramanan, R. Sahara, H. Mizuseki, and Y. Kawazoe
First Principles Calculations on CSL Grain Boundary Impurities in Multicrystalline Silicon
International Conference on Solid State Devices and Materials (SSDM2010)
(Tokyo, September 22-24, 2010.)
185. A. Suvitha、N. S. Venkataramanan、佐原亮二、水関博志、川添良幸
第一原理計算およびTersoff ポテンシャルを用いたシリコン結晶粒界評価
日本機械学会 第23回計算力学講演会 CMD2010、北見工業大学、北見、2010年9月23日 〜 25日
186. R. V. Belosludov、O. S. Subbotin、水関博志、V. R. Belosludov、川添良幸
理論計算による水素ハイドレートの物理的および化学的性質の解明
日本金属学会2010年秋期大会(北海道大学、札幌)2010年9月25日〜27日
187. 水関博志、N. S. Venkataramanan、A. Suvitha、陳剛、M. Khazaei、佐原亮二、川添良幸
第一原理計算による新規水素貯蔵材料探索
日本金属学会2010年秋期大会(北海道大学、札幌)2010年9月25日〜27日
188. T. M Inerbaev, M. N. Tripathi, H. Mizuseki, R. Sahara, T. Nakamura, and Y. Kawazoe
Study on Electronic Structure of Tin-doped Indium Oxide by First-principles Calculations
MRS Fall 2010
(Boston, MA, U.S.A., November 29 - December 3, 2010.)
189. H. Mizuseki, S. U. Lee, R. V. Belosludov, and Y. Kawazoe
Quantum Conductance of Atomic and Molecular Bridges by Using First-principles Calculations and Nonequilibrium Green's Function Formalism
MRS Fall 2010
(Boston, MA, U.S.A., November 29 - December 3, 2010.)
190. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Theoretical Study on Grain Boundaries in Multicrystalline Silicon
The Fifth General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, December 10-13, 2010.)
191. H. Mizuseki, N. Venkataramanan, R. Sahara, G. Chen, M. Khazaei, and Y. Kawazoe
Ab Initio Study on Improved Hydrogen Storage Materials
Pacifichem2010
(Honolulu, HI, U.S.A., December 15-20, 2010.)
192. H. Mizuseki and Y. Kawazoe
Quantum Transport of Nanoscale Materials by using Ab Initio Calculations and Nonequilibrium Green's Function Formalism
Pacifichem2010
(Honolulu, HI, U.S.A., December 15-20, 2010.)
193. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
Hydrogen Storage in Metal Organic Frameworks by Ab Initio Calculations
Pacifichem2010
(Honolulu, HI, U.S.A., December 15-20, 2010.)
194. 水関博志、N. S. Venkataramanan、陳剛、M. Khazaei、佐原亮二、川添良幸
第一原理計算によるアルカリ金属をドープした新規水素貯蔵材料探索と評価
日本金属学会2011年春期大会(東京都市大学、東京)2011年3月25日〜27日(概要集による発表)
195. H. Mizuseki and Y. Kawazoe (Invited)
First-principles Study on Transport Properties of Nanoscale Conjugated Molecules
Asian Consortium on Computational Materials Science -Third Working Group Meeting (ACCMS-WGM3) on "Advances in Nano-device Simulation"
(Jeju, Korea, March 31 - April 2, 2011.)
196. H. Mizuseki, N. S. Venkataramanan, R. Sahara, and Y. Kawazoe
First-Principles Calculations on Hydrogen Storage Capacity
MRS Spring 2011
(San Francisco, CA, U.S.A., April 25-29, 2011.)
197. H. Mizuseki, N. S. Venkataramanan, R. Sahara, G. Chen, M. Khazaei, and Y. Kawazoe
Novel Hydrogen Storage Materials: An Atomic Scale Computational Approach
MRS Spring 2011
(San Francisco, CA, U.S.A., April 25-29, 2011.)
198. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Atomistic Modeling on Defects in Multicrystalline Silicon
MRS Spring 2011
(San Francisco, CA, U.S.A., April 25-29, 2011.)
199. 水関博志、N. S. Venkataramanan、陳 剛、佐原亮二、川添良幸
第一原理計算によるアルカリ金属をドープした新規水素貯蔵材料の評価
ナノ学会第9回大会 北海道大学・学術交流会館(北海道札幌市) 2011年6月2-4日
200. 水関博志、A. Suvitha、佐原亮二、川添良幸
原子モデルを用いたランダム粒界および対応粒界の特性評価
ナノ学会第9回大会 北海道大学・学術交流会館(北海道札幌市) 2011年6月2-4日
201. H. Mizuseki and Y. Kawazoe (Invited)
First Principles Investigation on Potential Hydrogen Storage Materials
The 6th Asian Consortium on Computational Materials Science (ACCMS-6)
(Singapore, September 6-9, 2011.)
202. 水関博志、A. Suvitha、佐原亮二、川添良幸
経験的ポテンシャルおよび第一原理計算によるシリコン結晶粒界評価
日本機械学会 第24回計算力学講演会 CMD2011、岡山大学、岡山、2011年10月8日 〜 10日
203. 水関博志、N. S. Venkataramanan、R. V. Belosludov、佐原亮二、陳剛、M. Khazaei、川添良幸
新規水素貯蔵材料のシミュレーション探索研究
日本金属学会2011年秋期大会(沖縄コンベンションセンターおよびフェストーネ、沖縄)2011年11月7日〜9日
204. H. Mizuseki, S. U. Lee, R. V. Belosludov, and Y. Kawazoe
First-Principles Calculations on Transport Properties of Nanoscale Molecular Wires
MRS Fall 2011
(Boston, MA, U.S.A., November 28 - December 2, 2011.)
205. H. Mizuseki, A. Suvitha, R. Sahara, and Y. Kawazoe
Atomistic Modeling on Grain Boundaries in Multicrystalline Silicon for Photovoltaic Cell
MRS Fall 2011
(Boston, MA, U.S.A., November 28 - December 2, 2011.)
206. H. Mizuseki, R. Sahara, and Y. Kawazoe
Empirical Potential Investigation on Grain Boundaries in Multicrystalline Silicon
The Sixth General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, February 10-12, 2012.)
207. H. Mizuseki, K. Shida, R. Sahara, and Y. Kawazoe
Micromagnetic Modelling of Granular Materials
The Sixth General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, February 10-12, 2012.)
208. H. Mizuseki, R. V. Belosludov, O. S. Subbotin, V. R. Belosludov, and Y. Kawazoe
Accurate Description of the Physical and Chemical Properties of Hydrogen Hydrates: A Large-Scale Calculation
2nd Gordon Research Conference on Natural Gas Hydrates
(Ventura, CA, U.S.A., March 18-23, 2012.)
209. 水関博志、佐原亮二、V. Wang、N. S. Venkataramanan、G. Chen、川添良幸
第一原理計算による新規ナノスケール水素貯蔵材料の評価
ナノ学会第10回大会 大阪大学・大阪大学会館 2012年6月14-16日
210. H. Mizuseki (Invited)
First Principles Investigation on Hydrogen Storage Phenomena
Advances in Quantum Chemistry: Interfacing Electronic Structure with Dynamics
(University of Minnesota, Minneapolis, MN, U.S.A., June 20-22, 2012.)
211. H. Mizuseki and Y. Kawazoe
First Principles Investigation on Nanostructured Hydrogen Storage Materials
14th International Congress of Quantum Chemistry
(Boulder, CO, U.S.A., June 25-30, 2012.)
212. H. Mizuseki (Invited)
First-principles Investigation of Hydrogen Storage Properties in Nanostructured Storage Materials
244th ACS National Meeting & Exposition
(Philadelphia, PA, U.S.A., August 19-23, 2012.)
213. 水関博志、佐原亮二、N. S. Venkataramanan、G. Chen、V. Wang、川添良幸
第一原理計算による新規水素貯蔵材料の提案
日本金属学会2012年秋期大会(愛媛大学、松山)2012年9月17日〜19日
214. H. Mizuseki (Invited)
First-Principles Investigation of Hydrogen Storage Properties on Metal-Doped Low-Dimensional Materials
NATO Advanced Research Workshop: Recent Trends in Energy Security With Special Emphasis on Low-Dimensional Functional Materials
(Tashkent, Uzbekistan, October 15-19, 2012.)
215. H. Mizuseki, R. Sahara, N. S. Venkataramanan, G. Chen, and Y. Kawazoe
Theoretical Evaluation of Hydrogen Storage Capacity in Nanostructured Storage Materials
International Symposium on Metal-Hydrogen Systems (MH2012)
(Kyoko, Japan, October 21-26, 2012.)
216. H. Mizuseki
Introduction of the New Supercomputer in IMR
The Seventh General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, November 23-25, 2012.)
217. H. Mizuseki, R. Sahara, and Y. Kawazoe
Tersoff Potential Investigation on Grain Boundaries in Multicrystalline Silicon
The Seventh General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, November 23-25, 2012.)
218. H. Mizuseki, K. Shida, R. Sahara, and Y. Kawazoe
Micromagnetic Simulations on Hard and Soft Magnetic Granular Materials
The Seventh General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, November 23-25, 2012.)
219. H. Mizuseki
Computational Materials Science for Hydrogen Storage
Summit of Materials Science 2012, SMS2012
(Sendai, Japan, November 27-30, 2012.)
220. H. Mizuseki and Y. Kawazoe (Invited)
First-principles Analysis of Hydrogen Storage Properties of Alkali-Doped Organic Materials
Asian Consortium on Computational Materials Science - Working Group Meeting on Computational Design of Materials for Energy Conversion and Storage
(National Taiwan University of Science and Technology, Taipei, Taiwan, January 16-18, 2013.)
221. H. Mizuseki (Invited)
Improved Design of Alkali-Doped Organic Materials for Hydrogen Storage
International Workshop on Computational Materials Design and Engineering (IWCMDE)
(Jodhpur, India, February 8-10, 2013.)
222. H. Mizuseki, R. V. Belosludov, O. S. Subbotin, V. Belosludov, and Y. Kawazoe
Theoretical Study of Gas Storage Materials based on Clathrate Hydrate
MANA International Symposium 2013
(Tsukuba, Japan, February 27 - March 1, 2013.)
223. H. Mizuseki, K. Shida, R. Sahara, and Y. Kawazoe
Mesoscopic Modeling on Granular Magnetic Media
The 3rd AICS International Symposium
(Kobe, Japan, February 28 - March 1, 2013.)
224. H. Mizuseki, R. V. Belosludov, O. S. Subbotin, V. Belosludov, and Y. Kawazoe
Simulation Study of Gas Storage Materials based on Clathrate Hydrates
The 3rd AICS International Symposium
(Kobe, Japan, February 28 - March 1, 2013.)
225. 水関博志、N. S. Venkataramanan、佐原亮二、川添良幸
第一原理計算による新規有機水素貯蔵材料の評価
ナノ学会第11回大会 東京工業大学・百年記念館 2013年6月6-8日
226. 水関博志(招待講演)
第一原理計算によるナノ構造体を用いた水素貯蔵材料設計
機能性ナノ材料開発に役立つ先端シミュレーション 東京理科大学・森戸記念会館 2013年6月20日
227. H. Mizuseki (Invited)
Theoretical Study on Grain Boundaries in Multicrystalline Silicon by Tersoff Potential
The 7th Conference of the Asian Consortium on Computational Materials Science (ACCMS-7)
(Suranaree University of Technology, Nakhon Ratchasima, Thailand, July 23-28, 2013.)
228. H. Mizuseki (Invited)
Modeling on Storage Properties in Potential Hydrogen Storage Media
8th Pacific Rim International Congress on Advanced Materials and Processing (PRICM-8)
(Waikoloa, HI, U.S.A., August 4-9, 2013.)
229. H. Mizuseki (Keynote)
Computational Materials Science by using the New Supercomputer in IMR - 27 Years with Prof. Kawazoe
TOMBO 20th Anniversary and Russian Megagrant Opening Conference
(Sendai, Japan, August 21-22, 2013.)
230. H. Mizuseki (Invited)
Modeling on Adsorption Properties in Novel Hydrogen Storage Materials
International Symposium on Nanostructures and their Applications in Renewable Energy, ISNARE2013
(Beijing, China, October 24-27, 2013.)
231. H. Mizuseki (Invited)
Theoretical Study of Multicrystalline Silicon Solar Cells and Gas Storage Materials based on High Performance Computing
The 2nd Working Group Meeting on Computational Design of Materials for Energy Conversion and Storage, ACCMS-WGM
(Astana, Kazakhstan, June 5-7, 2014.)
232. H. Mizuseki (Invited)
Modeling on Hydrogen Storage Properties in Nanostructured Materials by High Performance Computing
International Conference on Computational & Experimental Engineering and Sciences, ICCES 2014
(Changwon, Korea, June 12-17, 2014.)
233. H. Mizuseki (Keynote)
Computational Materials Science for Energy-related Materials
Taishan Academic Forum – Environment and Energy Materials (TAF-EEM)
(Jinan, China, November 12-14, 2014.)
234. H. Mizuseki and Y. Kawazoe
Atomistic and Electronic Structure of Grain Boundaries in Multicrystalline Silicon: Atomistic Simulations
International Conference on Electronic Materials and Nanotechnology for Green Environment 2014, ENGE 2014
(Jeju, Korea, November 16-19, 2014.)
235. H. Mizuseki
Analysis on Mesoscopic Phase Morphology of Organic Materials for Solar Energy Conversion
MRS Fall 2014
(Boston, MA, U.S.A., December 1-5, 2014.)
236. H. Mizuseki
Atomistic Configuration Effects of Grain Boundaries in Multicrystalline Silicon for Solar Cell Devices
MRS Fall 2014
(Boston, MA, U.S.A., December 1-5, 2014.)
237. H. Mizuseki (Invited)
Multiscale Materials Design for Novel Physical and Chemical Properties of Energy-related Materials
The Ninth General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Okinawa, Japan, December 20-22, 2014.)
238. H. Mizuseki and R. Sahara
Dissociation Dynamics of a Gas Molecule on Titanium Dioxide Nanocluster: A Time-dependent Density Functional Theoretical Study
The Ninth General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Okinawa, Japan, December 20-22, 2014.)
239. H. Mizuseki, Seungchul Kim, Sang Soo Han, Kahyun Hur, and T. Goto
Computational Materials Design by First-principles based Multiscale Simulations
The Ninth General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Okinawa, Japan, December 20-22, 2014.)
240. H. Mizuseki and Y. Kawazoe
Atomistic Modeling of Silicon Grain Boundaries for Solar Cell Devices
The 9th International Conference on Computational Physics (ICCP9)
(Singapore, January 7-11, 2015.)
241. H. Mizuseki
Genetic Algorithm based Optimization Approach for Nanoscale Devices
The 9th International Conference on Computational Physics (ICCP9)
(Singapore, January 7-11, 2015.)
242. H. Mizuseki (Invited)
Materials Design on Energy-related Materials by Multiscale Simulations
The 8th Conference of the Asian Consortium on Computational Materials Science (ACCMS-8)
(National Taiwan University of Science and Technology, Taipei, Taiwan, June 16-18, 2015.)
243. H. Mizuseki and R. Sahara
Water Dissociation Process on Titanium Dioxide Nanocluster: A Time-dependent Density Functional Theoretical Study
International Conference of Pacific Rim Ceramic Societies (PACRIM-11)
(ICC Jeju, Jeju, Korea, August 30 - September 4, 2015.)
244. H. Mizuseki and Keunsu Choi (Invited)
Computational Materials Design on High-performance Gas Separation Materials
International Conference on Functional Materials for Frontier Energy Issues (ICFMFEI-2015)
(Novosibirsk, Russia, October 1-5, 2015.)
245. H. Mizuseki (Invited)
First-principles Study on Hydrogen Storage Materials
Energy Materials Nanotechnology, EMN Meeting on Fuel Cells
(Jeju, Korea, May 23-27, 2016.)
246. H. Mizuseki and Keunsu Choi
Computational Screening of Zeolitic Imidazolate Frameworks for Gas Separation
Nano Korea 2016, Technical Session
(KINTEX, Korea, July 13-15, 2016.)
247. H. Mizuseki and Keunsu Choi (Invited)
Computational Design and Screening of Gas Separation Materials
ACCMS-TM on First Principles Analysis and Experiment: Role in Energy Research
(SRM University, Chennai, India, September 22-24, 2016.)
248. H. Mizuseki and Keunsu Choi (Invited)
First-principles Study on Graphene-based Materials for Heavy Metal Removal
The Eleventh General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, December 19-21, 2016.)
249. H. Mizuseki and J.-T. Wang
New Carbon Allotropes by Computational Science
Nano Korea 2017, Technical Session
(KINTEX, Korea, July 12-14, 2017.)
250. H. Mizuseki and Keunsu Choi (Invited)
Theoretical Investigation on Functionalized Carbon Materials
The 9th Conference of the Asian Consortium on Computational Materials Science (ACCMS-9)
(Kuala Lumpur, Malaysia, August 8-11, 2017.)
251. H. Mizuseki (Invited)
New Carbon Allotropes: Materials Design and Photocatalysis Application
2017 International Conference on Functional Carbons (2017 ICFC)
(National Taiwan University of Science and Technology, Taipei, Taiwan, November 1-4, 2017.)
252. H. Mizuseki and Keunsu Choi
Theoretical Investigation of Removal Mechanism of Heavy Metal by Functionalized Carbon Materials
The 4th International Conference on Advanced Electromaterials (ICAE 2017)
(Jeju, Korea, November 21-24, 2017.)
253. H. Mizuseki (Keynote)
Theoretical Investigation on a New Two-dimensional Carbon Allotrope: Application in Optoelectronics and Photocatalysis
The Twelfth General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
(Sendai, Japan, December 17-19, 2017.)
254. H. Mizuseki and Babu Ram
New Crystal Structure Prediction Approach for Carbon Allotropes
Nano Korea 2018, Technical Session
(KINTEX, Korea, July 11-13, 2018.)
255. H. Mizuseki and Babu Ram (Invited)
New 2D and 3D Allotropes of Carbon
Nano Korea 2018, Satellite Session: Asian Consortium on Computational Materials Science Pre-Real Organization (ACCMS-PRO) Meeting
(KINTEX, Korea, July 11-13, 2018.)
256. H. Mizuseki and Babu Ram
New Structure Prediction of Novel Carbon Phases based on a Multi-start Local Search Approach
International Union of Materials Research Societies - International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018)
(Daejeon Convention Center, Daejeon, Korea, August 19-24, 2018.)
257. H. Mizuseki (Invited)
New Crystal Structure Prediction Method for Carbon Allotropes
Workshop on Evolution of Electronic Structure Theory & Experimental Realization (EESTER-2018)
(SRM IST, Chennai, India, September 11-13, 2018, IITM, Chennai, India, September 14-15, 2018.)
258. H. Mizuseki and Babu Ram
New Structure Prediction Method for Carbon Allotropes
10th International Conference on Materials for Advanced Technologies (ICMAT 2019)
(Singapore, June 23-28, 2019.)
259. H. Mizuseki, Babu Ram, Ryoji Sahara, and Kenta Hongo (Invited)
Neural Network Model for Predicting Material Properties
The 10th International Conference of Asian Consortium on Computational Materials Science (ACCMS-10)
(Hong Kong, July 22-26, 2019.)
260. H. Mizuseki, Babu Ram, Ryoji Sahara, and Kenta Hongo
Neural Network Prediction on High-entropy Alloys
The 5th International Conference on Molecular Simulation (ICMS 2019)
(Jeju, Korea, November 3-6, 2019.)
261. H. Mizuseki
Neural Network Prediction on High-entropy Alloys and III-V Compound Semiconductors
KIST-JAIST Joint Symposium
(Seoul, Korea, December 13, 2019.)
262. H. Mizuseki, Babu Ram, Ryoji Sahara, Yoshiyuki Kawazoe, and Kenta Hongo (Invited)
Machine Learning on Band Gap Prediction of III-V Compound Semiconductors
ACCMS - International Conference on Materials Genome, ACCMS-ICMG 2020
(SRM University, AP - Amaravati, India, February 5-7, 2020.)
263. H. Mizuseki, Babu Ram, Ryoji Sahara, Yoshiyuki Kawazoe, and Kenta Hongo
Neural Network Prediction of III-V Compounds
International Conference on Electronic Materials and Nanotechnology for Green Environment 2020, ENGE 2020
(Jeju, Korea, November 1-4, 2020.)
264. H. Mizuseki, Ryoji Sahara, and Kenta Hongo
Investigation of Ordering Mechanism in 3d-transition-metal-based HEAs by First-principles High-throughput Sampling
The Korean Institute of Metals and Materials, Fall 2021
(Jeju, Korea (on-line), October 20-22, 2021.)
265. H. Mizuseki, Ryoji Sahara, and Kenta Hongo
Application to High Entropy Alloys using VASP
PCoMS & RISME TOMBO Seminar: First-Principles Theory, Computation, and Hands-On 2022
(Tohoku University, Sendai, Japan (on-line), March 23, 2022.)
266. H. Mizuseki, Ryoji Sahara, and Kenta Hongo (Invited)
3d-transition-metal-based HEAs by High-throughput Sampling based on First-principles Calculations
ACCMS - International Conference on Materials Genome, ACCMS-ICMG 2022
(SRM University, AP - Amaravati, India (on-line), March 24-25, 2022.)
267. H. Mizuseki, Ryoji Sahara, and Kenta Hongo (Invited)
Order-disorder Coexistence Phases in Equiatomic 3d-transition-metal Quaternary Alloys
7th International Conference on Nanoscience and Nanotechnology – ICONN 2023 (Virtual Conference)
(SRM IST, Chennai, India (on-line), March 27-29, 2023.)
268. H. Mizuseki
Order-disorder Competition in Equiatomic 3d-transition-metal Quaternary Alloys: A First-Principles Study
Seminar in Department of Nuclear Engineering, Seoul National University
(Department of Nuclear Engineering, Seoul National University, November 24, 2023.)
269. H. Mizuseki
Atomistic Configurations in Alloying Materials: Group-III Nitrides and High-entropy Alloys
ACCMS-Global Research Center webinar#22
(ACCMS-GRC webinar#22, on-line, November 28, 2023.)
270. H. Mizuseki, Jessiel Siaron Gueriba, Marilou Cadatal-Raduban, Nobuhiko Sarukura, Eiichi Tamiya, and Yoshiyuki Kawazoe (Invited)
Ordered Structures in Group-III Nitrides: A First-principles Study
Conference on Laser and Synchrotron Radiation Combination Experiment 2024 (LSC2024), Optics & Photonics International Congress 2024 (OPIC2024)
(Pacifico Yokohama, on-line, April 22-26, 2024.)
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