Publication list of Rodion
Belosludov
Journals:
139.
Magnetically Controllable Two-Dimensional Spin Transport in a 3D
Crystal. O. Dowinton, D.
Maryenko, R. V. Belosludov,
B.-J. Yang, M. S. Bahramy, Adv, Funct. Mater. 33 (2023) 2300995-1-2300995-11.
138.
Valley-dimensionality locking of superconductivity in cubic
phosphides. L. Ao, J. Huang,
F. Qin, Z. Li, T. Ideue, K. Akhtari, P. Chen, X. Bi, C. Qiu, D. Huang,
L. Chen, R. V. Belosludov,
H. Gou, W. Ren, T. Nojima, Y. Iwasa, M. S. Bahramy, H. Yuan, Science
Advances 9
(2023) eadf6758-1-eadf6758-10.
137.
Computational Discovery of Active and Selective Metal‐Nitrogen‐Graphene
Catalysts for Electrooxidation of Water to H2O2. P. Chaudhary, I. Evazzade, R. V. Belosludov, Vitaly
Alexandrov, ChemCatChem 15
(2023) e202300055-1-e202300055-8.
136.
Molecular Dynamics Study of Clathrate-like Ordering of Water in
Supersaturated Methane Solution at Low Pressure. R.
V. Belosludov, K. V. Gets, R. K. Zhdanov, Y. Y. Bozhko, V. R.
Belosludov, L.-J. Chen, Y. Kawazoe, Molecules 28 (2023) 2960-1-2960-23.
135.
Giant valleyZeeman coupling in the surface layer of an intercalated
transition metal dichalcogenide. B. Edwards, O. Dowinton, A. E. Hall, P.
A. E. Murgatroyd, S. Buchberger, T. Antonelli, G.-R. Siemann, A. Rajan,
E. Abarca Morales, A. Zivanovic, C. Bigi, R. V. Belosludov, C. M.
Polley, D. Carbone, D. A. Mayoh, G. Balakrishnan, M. S. Bahramy &
P. D. C. King, Nature Materials 22
(2023) 459–465.
134. Synthesis of Nanocrystalline Yttrium Oxide and Evolution of
Morphology and Microstructure during Thermal Decomposition of Y2(C2O4)3·10H2O. P. A. Gribov, A. A. Sidelnikov, R. V.
Belosludov, A. A. Matvienko. Ceramics 6
(2023) 16-29.
133.
Axial-Bonding-Driven Dimensionality Effect on the Charge-Density Wave
in NbSe2. D. Lin, A.
Ranjbar, X. Li, X. Huang, Y. Huang, H. Berger, L. Forró, K. Watanabe,
T. Taniguchi, R. V.
Belosludov, T. D. Kühne, H. Ding, M. S. Bahramy, and X. Xi,
Nano Lett. 22 (2022)
9389−9395.
132.
Ultrafine nanoporous intermetallic catalysts by high-temperature liquid
metal dealloying for electrochemical hydrogen production.
Ruirui Song, Jiuhui Han,
Masayuki Okugawa, Rodion
Belosludov,
Takeshi Wada, Jing Jiang, Daixiu Wei, Akira Kudo, Yuan Tian, Mingwei
Chen and Hidemi Kato , Nat. Commun. 13
(2022) 5157-1-5157-12.
131.
Electronic Structures of Group III–V Element Haeckelite Compounds: A
Novel Family of Semiconductors, Dirac Semimetals, and Topological
Insulators. M. Khazaei, A. Ranjbar,
Y. Kang, Y. Liang, R. Khaledialidusti, S. Bae, H. Raebiger, V. Wang, M.
J. Han, H. Mizoguchi, M. S. Bahramy, T. D. Kühne, R. V. Belosludov, K. Ohno,
and H. Hosono, Adv, Funct. Mater. 32 (2022) 2110930-1-2110930-10.
130.
Collective Effect of Transformation of
a Hydrogen Bond Network at the Initial State of Growth of Methane
Hydrate. V. R. Belosludov, K. V. Gets, R. K. Zhdanov, Yu.
Yu. Bozhko, R. V. Belosludov,
and L.-J. Chen, JETP Letters, 115
(2022) 124-129.
129.
Second-harmonic generation in atomically thin 1T−TiSe2
and its possible origin from charge density wave transitions. Ruiming Zhang,
Wei Ruan, Junyao Yu, Libo Gao, Helmuth Berger, László Forró, Kenji
Watanabe, Takashi Taniguchi, Ahmad Ranjbar, Rodion V. Belosludov,
Thomas D. Kühne, Mohammad Saeed Bahramy, and Xiaoxiang Xi, Phys.
Rev. B 105 (2022)
085409-1-085409-9.
128.
Clusters of Cesium-Lead-Iodide Perovskite in Zeolite Matrix. I. Dmitruk, E. Vikhrova,
A. Dmytruk, N. Berezovska, Yuri Barnakov, P. Vartik, and R. V. Belosludov, ACS Omega, 6 (2021) 27711-27715.
127. A Theoretical Investigation of Topological Phase
Modulation in Carbide MXenes: Role of Image Potential States. Mengying Wang,
Ahmad Ranjbar, Thomas D. Kuhne, Rodion V.
Belosludov, Yoshiyuki Kawazoe
and Yunye Liang, Carbon,
181 (2021) 370-378.
126. Accurate prediction of the excited states in the fully
conjugated porphyrin tapes across the full spectral range: a story of
the interplay between pi-pi* and intramolecular charge-transfer
transitions in soft chromophores. R. V. Belosludov, D.
Nevonen and V. N. Nemykin, J.
Phys. Chem. A, 125 (2021) 2480-2491.
125. Effect of the Synthesis Conditions of Ce0.9Gd0.1O1.95
powder on its morphology and characteristics of the oxygen
ion-conducting ceramics obtained by spark plasma sintering. Daniel V. Maslennikov, Alexander A.
Matvienko, Anatoly A. Sidelnikov, Dina V. Dudina, Maxim A. Esikov,
Rodion V. Belosludov,
and Hidemi Kato, Ceramics
International, 47 (2021)
2557-2564.
124. Lattice Dynamics Study of the Thermal Expansion of C3H8-,
CH4-, CF4-, CO2-, Xe- and N2-hydrates.
R. V.
Belosludov, R. K. Zhdanov,
Yu. Yu.
Bozhko, K.
V. Gets, O. S. Subbotin, Y. Kawazoe, and V. R.
Belosludov, Energy
& Fuels, 34 (2020) 12771-12778.
123. Physical Properties and Characterization of the Binary
Clathrate Hydrate with Methane + 1,1,1,3,3-pentafluoropropane
(HFC-245fa) + Water. M.
Kodera, T. Matsueda, R. V.
Belosludov, R. K. Zhdanov, V.
R.
Belosludov, S, Takeya, S, Alavi, and R. Ohmura, J.
Phys. Chem. C, 124 (2020)
20736-20745.
122. Role of Methane as a Second Guest Component in Thermodynamic
Stability and Isomer Selectivity of Butane Clathrate Hydrates. R. V.
Belosludov, R. K. Zhdanov, K.
V. Gets, Yu. Yu.
Bozhko, V. R.
Belosludov, and Y.
Kawazoe, J.
Phys. Chem. C, 124 (2020)
18474-18481.
121.
Experimental and Computational Studies
of the Structure of CdSe Magic-Size Clusters. I. Dmitruk, R. V. Belosludov, A. Kasuya, A. Dmytruk, Y. Noda, Y. Barnakov, and T.-S. Park, J.
Phys. Chem. A, 124 (2020)
3398-3406.
120. The nano-structural inhomogeneity of dynamic hydrogen bond
network of TIP4P/2005 water. V. R.
Belosludov, K. V. Gets, R. K. Zhdanov, V. K. Malinovsky, Yu. Yu.
Bozhko, R. V. Belosludov, N. V.
Surovtsev, O. S. Subbotin, and Y. Kawazoe, Scientific Reports, 10 (2020) 7323.
119.
An atomistic study of the
structural changes in a Zr-Cu-Ni-Al glass-forming liquid on
vitrification monitored in-situ by X-ray diffraction and molecular
dynamics simulation. D.
V. Louzguine-Luzgin,
K. Georgarakis, J. Andrieux,
L. Hennet, T. Morishita, K. Nishio and R. Belosludov, Intermetallics, 122 (2020) 106795.
118. Synthesis and electrical conductivity of Na3B20. H. Morito, S. Shibato, T. Yamada, T.
Ikeda, M. Terauchi, R.
Belosludov, H. Yamane, Solid State Science 102 (2020) 106166.
117.
The atomic structure of a bulk
metallic glass resolved by scanning tunneling
microscopy and ab-initio molecular dynamics simulation. R. V.
Belosludov, A. I. Oreshkin, S. I.
Oreshkin, D. A. Muzychenko, H. Kato, and D. V. Louzguine-Luzgin, Journal of Alloys and Compounds 816 (2019) 152680.
116. Transformation of hydrogen bond network during the CO2
clathrate hydrate dissociation. K. V. Gets, V. R.
Belosludov, R. K. Zhdanov, Yu. Yu.
Bozhko, R. V. Belosludov, O. S.
Subbotin, N. Marashov, and Y. Kawazoe, Appl. Surf. Sci. 499 (2020)
143644.
115.
Understanding hysteresis in carbon dioxide
sorption in porous
metal-organic frameworks. S. A. Sapchenko, M. O. Barsukova, R. V. Belosludov, K. A.
Kovalenko, D. G.
Samsonenko, A. S. Poryvaev, A. M. Sheveleva, M. V. Fedin, A. S.
Bogomyakov, D. N.
Dybtsev, M. Schröder,
and V. M. Fedin, Inorg. Chem. 58 (2019) 6811-6820.
114. Phase diagram
and composition of water based crystaline
phases in hydrogen-water binary system.
R. K. Zhdanov, Yu. Yu. Bozhko, V. R. Belosludov, O. S. Subbotin, K. V.
Gets, R. V.
Belosludov, and Y. Kawazoe, Solid State
Communication 294 (2019) 6-10 .
113. Simultaneous Prediction of the Energies of Qx and Qy Bands
and Intramolecular Charge-Transfer Transitions in Benzoannulated and
Non-Peripherally Substituted Metal-Free Phthalocyanines and Their
Analogues: No Standard TDDFT Silver Bullet Yet. R. V. Belosludov, D.
Nevonen, H. Rhoda, J. Sabin, and V. N. Nemykin, J.
Phys. Chem. A 123 (2019)
132-152.
112. Influence of N2 on Formation Conditions and Guest
Distribution of Mixed CO2+CH4 Gas Hydrates. V. R. Belosludov, Yu. Yu. Bozhko, O. S. Subbotin, R.
V. Belosludov, R. K. Zhdanov, K.
Gets and Y.
Kawazoe, Molecules 23 (2018) 3336.
111. 1,7Dipyrene-containing aza-BODIPYs: Are pyrene
groups
effective as ligands to promote and direct complex formation with
common nanocarbon materials? Y. V.
Zatsikha,T. S. Blesener, P. C. Goff, A. Healy, R. Swedin, D. E.
Herbert, G. T. Rohde, K. Chanawanno, C. J. Ziegler, R. V. Belosludov,
D. A. Blank, and V. N. Nemykin, J.
Phys. Chem. C 122 (2018) 27893-27916.
110.
Thermodynamic
description of crystalline water phases containing hydrogen.
R. K. Zhdanov, V. R. Belosludov, Yu. Yu. Bozhko, O. S. Subbotin, K. V.
Gets, and R. V.
Belosludov, JETP Letters. 108
(2018) 806-809 .
109. Ozone Storage Capacity in Clathrate Hydrates Formed by O3+O2+N2+CO2
Gas Mixtures. O. S.
Subbotin, Yu. Yu. Bozhko, K.
Gets, R. K. Zhdanov, V. R. Belosludov, R. V. Belosludov, and Y.
Kawazoe, Physical Chemistry Chemical Physics 20 (2018) 12637-12641.
108. Polarons in endohedral Li+@C60- dimers and in 1D and 2D
crystals. Y. Kawazoe, V.
R. Belosludov, R. K. Zhdanov and R. V.
Belosludov, Solid State
Communication 265 (2017) 1-5.
107. Magnetic circular dichroism of transition-metal
complexes of perfluorophenyl-n-confused porphyrins: Inverting
electronic structure through a proton. S. Doble, A. J. Osinski, S. M. Holland,
J. M. Fisher, G.
R. Geier III, R. V.
Belosludov, C. J. Ziegler, and V. N. Nemykin, J.
Phys. Chem. A 121 (2017) 3689-3698.
106.
ZnO nested shell magic cluster as
tetrapod nuclei. A. Dmytruk, I. Dmitruk, Y. Shynkarenko,
R. V. Belosludov, and A. Kasuya. RSC Advances
7
(2017) 21933-21942.
105. Modeling the polymorphic transformations in amorphous solid
ice. R. V. Belosludov, K. Gets,
O. S. Subbotin, R. K. Zhdanov, Yu. Yu. Bozhko, V. R. Belosludov, J.
Kudoh, Journal of Alloys and Compounds 707 (2017) 108-113.
104. Theoretical modeling of the thermodynamic properties and the
phase diagram of binary gas hydrates of argon and hydrogen. R. K. Zhdanov,
K. Gets, R. V. Belosludov, O. S.
Subbotin, Yu. Yu. Bozhko, V. R. Belosludov, Fluid Phase Equlibria 434 (2017) 87-92.
103. Many-electron states of the N2 and N3 color centers in
diamond: A first-principles and many-body study. M. Babamoradi, S. Asgari, A. Ranjbar, R.
V. Belosludov, S. Yunoki, Physica B 505 (2017) 17-21.
102. Tuning up an electronic structure of the
subphtalocyanine derivatives toward electron-transfer process in
non-covalent complexes with C60 and C70
fullerenes: experimental and theoretical studies. H. Rhoda, M. Kayser, Y. Wang, A.
Nazarenko, R. V. Belosludov, P. Kiprof, D. Blank and V. N. Nemykin,
Inorg. Chem. 55 (2016) 9549-9563. (Editor's choice paper with front cover
page)
101. Conceptual design of the tetraazaporphyrin- and
subtetraazaporphyrin-based functional nanocarbon materials: electronic
structures, topologies, optical properties, and methane storage
capacities. R. V. Belosludov, H. Rhoda,
R. K. Zhdanov, V. R. Belosludov, Y. Kawazoe and V. N. Nemykin, Physical Chemistry Chemical Physics 18
(2016) 13503-13518.
100. Hydrogen hydrate: equation of state and self-preservation
effect. R. V. Belosludov, Y.
Y. Bozhko,
R. K. Zhdanov, O. S. Subbotin, Y. Kawazoe and V. R. Belosludov, Fluid Phase Equlibria 413 (2016) 220-228.
99. Initial Report on Molecular and Electronic
Structure of Spherical Multiferrocenyl/tin(IV) (Hydr)oxide [(FcSn)12O14(OH)6]X2
Clusters.
P. V. Solntsev, D. R. Anderson, H.
Rhoda, R. V. Belosludov, M. Fathi-Rasekh, E. Maligaspe, N. N.
Gerasimchuck, and V. N. Nemykin, Crystal Growth and Design 16 (2016) 1027-1037.
98. Probing electronic communications in
heterotrinuclear Fe-Ru-Fe molecular wires formed by Ru(II)
tetraphenylporphyrin and isocyanoferrocene or 1,1'-diisocyanoferrocene
ligands. V. Nemykin, S.
Dudkin, M. Fathi-Rasekh, A. Spaeth, H. Rhoda, R. V. Belosludov, and M.
Barybin, Inorg. Chem. 54 (2015) 10711-10724.
97. Solvation mechanism of task specific ionic liquids in water:
a combination investigation using classical molecular dynamics and
density functional theory. S. V. J. Yuvaraj, R. K. Zhdanov, R. V. Belosludov, V. R. Belosludov, O. S. Subbotin, K.
Kanie,
K. Funaki,
A. Muramatsu, T. Nakamura, H.
Mizuseki, and Y. Kawazoe, J.
Phys. Chem. B 119 (2015) 12894-12904.
96. Selective gas adsorption in microporous
metal-organic frameworks incorporating urotropine basic sites: an
experimental and theoretical study. S. A. Sapchenko, D. N.
Dybtsev, D. G.
Samsonenko, R. V. Belosludov, V. R.
Belosludov, Y. Kawazoe, M. Schröder, and V. M. Fedin, Chem. Comm. 51 (2015) 13918-13921.
95. Theoretical evaluation on solubility of synthesized task
specific ionic liquids in water. S. V. J. Yuvaraj, O. S Subbotin, R. V. Belosludov, V. R. Belosludov, K. Kanie, K. Funaki,
A. Muramatsu, T. Nakamura, H.
Mizuseki, Y. Kawazoe, Journal
of Molecular Liquids 200 (2014) 232-237.
94. Theoretical study of hydrogen storage in binary
hydrogen-methane clathrate hydrates. R. V. Belosludov, R. V. Zhdanov, O. S Subbotin, H.
Mizuseki, Y. Kawazoe,
and V. R. Belosludov, J.
Renew.
Sust. Energy 6 (2014) 053132.
93. Scanning tunneling microscopy study of morphology and
electronic properties in (K0.7Na0.3)Fe2-ySe2
single crystal. A. S. Trifonov, Y. A. Ovchenikov, D. E.
Presnov, R. Belosludov, A. I. Boltalin, M. Liu, I. V. Morozov,
H. Nejo,
and A. N. Vasiliev, J. Appl. Phys. 116
(2014) 043904.
92. Stability and composition of helium hydrates based on ice Ih
and II at low temperature. R. V. Belosludov, Y. Y. Bozhko, O. S Subbotin, V. R.
Belosludov, H.
Mizuseki, Y. Kawazoe,
and V. M. Fomin, J. Phys. Chem. C 118
(2014)
2587-2593.
91. Self-accelerating CO sorption in a soft nanoporous crystal. H. Sato, W. Kosaka, R. Matsuda, A. Hori,
Y. Hijikata, R. V. Belosludov, S. Sasaki, M. Takata, S. Kitagawa, Science 343
(2014)
167-170.
90. An atomistic level description of guest molecule effect on
the formation of hydrate crystal nuclei by ab-initio calculations. R. V. Belosludov, H.
Mizuseki, M. Souissi, Y. Kawazoe J. Kudoh, O. S. Subbotin, T. Adamova,
and V. R. Belosludov, J. Str. Chem. 53
(2012)
619-626.
89. Theoretical investigation of ozone hydrate formation
conditions. O.
S. Subbotin, T. Adamova, R.
V. Belosludov, H.
Mizuseki, Y. Kawazoe and V. R. Belosludov, J. Str. Chem. 53 (2012) 627-633.
88. Theoretical modelling of phase diagrams of clathrate
hydrates for hydrogen storage applications. R.
V. Belosludov, R. K. Zhdanov, O. S.
Subbotin, H.
Mizuseki M. Souissi, Y. Kawazoe and V. R. Belosludov, Molecular
Simulation
38
(2012) 773-780.
87. Experimental study and atomic level description of
adsorption process of CO2 on doped alkaline earth oxides. K. Sasaki, K. Wakuta, N. Tokuda, R. V. Belosludov, S. Ueda, Y. Kawazoe and T. Ariyama,
ISIJ International 52
(2012) 1233-1240.
86. Effects of Alkali Adatom on CO and H2S
Adsorptions on Fe(100) Surface: A Density Functional Theory Study. M. H. Mahyuddin, R. V. Belosludov, M. Khazaie, H. Mizuseki and Y. Kawazoe,
J. Phys. Chem. C 115
(2011) 23893-23901. (Editor's choice
paper with front cover page)
85. Structural Basis for Supercooled Liquid Fragility
Established by Synchrotron-radiation Method and Computer Simulation. D. V. Louzguine-Luzgin,
R. Belosludov, A. R. Yavari, K. Georgarakis, G.
Vaughan, Y. Kawazoe, T. Egami and A. Inoue, J. Appl. Phys. 110 (2011) 043519.
84. Electron Transport Characteristics of Organic Molecule
Encapsulated Carbon Nanotubes. S. U. Lee, R. V. Belosludov, H. Mizuseki and Y. Kawazoe, Nanoscale 3 (2011) 1773-1779.
83. Thermodynamic Stability of C3H8
Hydrate o Cubic Structure IV using Lattice Dynamics. M. Souissi, R.
V. Belosludov, O. S. Subbotin, H. Mizuseki, Y. Kawazoe
and V. R. Belosludov. J.
Incl. Phenom. Macrocycl. Chem. 69
(2011) 281-286.
82. Theoretical Investigation on the Alkali-Metal Doped BN
Fullerene as a Material for Hydrogen Storage. N. S. Venkataramanan, R.
V. Belosludov, R. Note, R. Sahara, H. Mizuseki and Y.
Kawazoe. Chem. Phys.
377 (2010) 54-59.
81. Carbon Nanotubes Oscillation under Electric Field. M. Khazaei, A. A.
Farajian, S. U. Lee, R.
V. Belosludov and Y. Kawazoe
and V. R. Belosludov. Jpn. J. Appl. Phys. 49
(2010) 115103.
80. Modular, Homochiral, Porous Coordination Polymers: Rational
Design, Enantioselective Guest Exchange Sorption and Ab Initio
Calculations of Host-Guest Interactions. 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. Chemistry A European
Journal 16 (2010)
10348-10356.
79. Thermodynamic Phase Behavior of Binary Clathrate Hydrates:
Computational Prediction. V.
R. Belosludov,
O. S. Subbotin,
R.
V. Belosludov, H.
Mizuseki and Y. Kawazoe. Comput.
Mater. Sci. 49 (2010) S187-S193.
78. Accurate Description of Phase Diagram of Clathrate Hydrates
at the Molecular Level. R. V. Belosludov, O. S. Subbotin, H.
Mizuseki, Y. Kawazoe and V. R. Belosludov. J. Chem. Phys. 131 (2009) 244510.
77. Theoretical Study of Phase Transition in Kr and Ar Clathrate
Hydrates from Structure II to Structure I under pressure. O.
S. Subbotin, T. P. Adamova,
R. V. Belosludov, H. Mizuseki, Y. Kawazoe, J. Kudoh,
P. M. Rodger and V. R. Belosludov. J. Chem. Phys. 131 (2009) 114507.
76. TD-DFT Studies on Hematoporphyrin and Its Dimers. A.
Suvita, R. V.
Belosludov, H. Mizuseki,
Y. Kawazoe, M. Takeda, M.
Kohno and N. Ohuchi.J. Jap. Inst. Met.
73 (2009) 555-558.
75. Thermodynamics and Hydrogen Storage Ability of Binary
Hydrogen + Help Gas Clathrate Hydrate. V. R. Belosludov, O. S.
Subbotin,
R. V. Belosludov, H. Mizuseki, Y. Kawazoe and J. Kudoh.
International Journal of Nanoscience 8 (2009) 57-63.
74.
Designing Nanogadgetry for
Nanoelctronic Devices with Nitrogen-Doped Capped Carbon Nanotubes.
S. U. Lee, R. V. Belosludov, H. Mizuseki and Y. Kawazoe, Small 5 (2009) 1769-1775.
73. Ultra-Stable Nanoparticles in AIIBVI (AII=Cd,Zn; BVI=S, Se,
Te) Compounds. V.
R. Romanyuk, I. M.
Dmitruk, Yu. A. Barnakov,
R. V. Belosludov and A. Kasuya. Journal of Nanoscience
and Nanotechnology 9 (2009)
2111-2118.
72.
ZnO clusters: Laser Ablation
Production and Time-of-flight Mass Spectroscopic Study. A. Dmytruk, I. Dmitruk, I.
Blonskyy,
R. V. Belosludov, Y. Kawazoe and A. Kasuya.
Microelectronic Journal 40 (2009)
218-220.
71. Glass-transition Behaviour of Ni: Calculation, Prediction,
and Experiment.
D. V. Louzguine-Luzgin, R. V. Belosludov, M. Saito, Y. Kawazoe and A. Inoue. J.
Appl. Phys. 104 (2008)
123529.
70. Structural Dependence of Magnetic Shielding Properties in Al4Li4
Clusters. S.
U. Lee, Y. K. Han, C. Majumder, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, Materials Transactions
49 (2008) 2429-2436.
69. TD-DFT Studies on Hematoporphyrin and its Dimers. A.
Suvita, R. V.
Belosludov, H. Mizuseki,
Y. Kawazoe, M. Takeda, M.
Kohno and N. Ohuchi. Materials Transactions
49 (2008) 2416-2419.
68.
Crystal-like Low Frequency
Phonon in the Low_density Amoprphous and High-density Amorphous Ices. R. V.
Belosludov, O. S.
Subbotin, H. Mizuskei, P. M.
Rodger, Y. Kawazoe and V. R. Belosludov J. Chem Phys. 129 (2008) 114507.
67. The Role of Aromaticity and the
pi-Conjugated Framework in Multiporphyrinic Systems as Single-Molecule
Switches. S. U. Lee, R. V. Belosludov, H. Mizuseki and Y. Kawazoe, Small 4 (2008) 962-969.
66 Transport Properties of Nanoscale Materials
for Molecular Wire Applications: A case study of ferrocene dimers.
H. Mizuseki,
R. V. Belosludov, T. Uehara, S. U. Lee and Y. Kawazoe, J.
Korean Phys. Soc. 52 (2008)
1197-1201.
65. Influence of Molecular Geometry,
Exchange-Correlation Functional, and Solvent Effects in the Modeling of
Vertical Excitation Energies in Phthalocyanines Using TDDFT and
PCM-TDDFT Methods: Can Modern Computational Chemistry Methods Explain
Experimental Controversies? V.
N. Nemykin, R. G. Hadt, R. V. Belosludov, H. Mizuseki and Y. Kawazoe, J. Phys.
Chem. A 111 (2007) 12901-12913.
64. Control of Electron Transport by
Manipulating the Conjugated Framework. S. U. Lee, R. V. Belosludov, H. Mizuseki and Y. Kawazoe, J. Phys.
Chem. C 111 (2007) 15397-15403.
63. Modelling the Self-Preservation Effect in Ice Ih/Gas Hydrate
Systems.
O.
S. Subbotin, V. R.
Belosludov, T. Ikeshoji, E. N. Brodskaya, E. M. Piotrovskaya, V. Sizov,
R. V. Belosludov and Y. Kawazoe, Materials Transactions
48 (2007) 2114-2118.
62. Formation and Atomic Structure of Boron Nitride Nanotubes
with a Cup-stacked Structure. T. Oku,
N. Koi, K. Suganuma, R.
V. Belosludov and Y.
Kawazoe, Solid
State
Communication
143 (2007) 331-336.
61. Gate-induced Switching and Negative
Differential Resistance in a Single-Molecule Transitor: Emergence of
Fixed and Shifting States with Molecular Length. A. A.
Farajian, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, T.
Hashizume and B. I. Yakobson, J. Chem. Phys. 127 (2007) 024901-1-024901-5.
60. Electronic and Transport Properties of Bismuth
Nanolines for Applications in Molecular Electronics. R. V. Belosludov, A. A.
Farajian, H. Mizuseki, Y. Kawazoe and K. Miki, Phys. Rev. B 75 (2007)
113411-1-113411-4.
59. Physical
and Chemical Properties of Gas Hydrates: Theoretical Aspects of Energy
Storage
Application. V. R. Belosludov, O. S. Subbotin, D. S. Krupskii, R.
V.
Belosludov, Y. Kawazoe and J. Kudoh, Materials Transactions 48 (2007) 704-710.
58. Excited State Properties and
Quadratic Optical Nonlinearities in Charged Organic Chromophores:
Theoretical Analysis. T. M. Inerbaev, S. Saito, R.
V.
Belosludov, H. Mizuseki, M. Takahashi and Y. Kawazoe, J. Chem.
Phys. 125
(2006) 234702-1-234702-8.
57. First Excited State Properties and
Static Hyperpolarizability of Ruthenium(II) Ammine Complexes.
T. M. Inerbaev, R. V. Belosludov, H. Mizuseki, M. Takahashi and
Y.
Kawazoe, J. Chem. Theory Comp. 2 (2006) 1325-1334.
56.
Theoretical Study of Conductance Properties of Metallocene. T. Uehara, N. Igarashi, R. V. Belosludov,
A. A. Farajian, H. Mizuseki and Y. Kawazoe, J. Jap. Inst. Met. 70
(2006) 478-482.
55. Realization of
Molecular Interconnection for Molecular Electronics: Theoretical
Aspects. R.
V. Belosludov, A. A. Farajian, Y. Baba, H. Mizuseki, and Y.
Kawazoe, Comp.
Mater. Sci. 36 (2006) 130-134.
54. Modelling
of the Structure and Vibrational Properties of LDA, HDA and VHDA
Amorphous
Ices. O. S.
Subbotin, V. R. Belosludov, T. M. Inerbaev, R. V. Belosludov and Y.
Kawazoe,
Comput. Mater. Sci. 36 (2006)
253-257.
53. Theoretical Study of
Polarons and Self-Trapped Excited States in One-Dimensional C60
Crystal.
V. R.
Belosludov, T. M. Inerbaev, R.
V. Belosludov, Y. Kawazoe and J. Kudoh, Comput.
Mater. Sci. 36 (2006) 17-25.
52. Dynamics and Equation
of State of Hydrogen
Clathrate Hydrate as a Function of Cage Occupation. T. M. Inerbaev,
V. R.
Belosludov, R. V. Belosludov,
M. Sluiter and Y. Kawazoe, Comput.
Mater. Sci. 36 (2006) 229-233.
51. Electronic and
magnetic properties of double-impurities-doped TiO2
(rutile):
First-principles calculations. P.
Murugan, R. V. Belosludov, H. Mizuseki, T.
Nishimatsu, T. Fukumura, M. Kawasaki and Y. Kawazoe, J.
Appl. Phys. 99
(2006) 08M105-1-08M105-3.
50. Electronic and Transport Properties
of Ferrocene: Theoretical Study. T. Uehara, R.
V.
Belosludov, A. A. Farajian, H. Mizuseki and Y. Kawazoe, Jpn. J. Appl. Phys. 45
(2006) 3768-3771.
49. A General-Purpose
Approach for Calculating Transport in Contact-Molecule-Contact System:
TARABORD
Implementation and Application to a Polythiophene-Based Nanodevices. A.
A.
Farajian, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe Thin
Solid Films 499
(2006) 269-274.
48. Theoretical Study on
Junctions in Porphyrin Oligomers for Nanoscale Devices. H.
Mizuseki, R.
V. Belosludov, A. A. Farajian, N. Igarashi, and Y. Kawazoe Mater. Sci. Eng. C 25 (2005)
718-721.
47. Stoichiometric
and
Ultra-stable Nanoparticles of II-VI Compound Semiconductors. A. Kasuya, Y. Noda, I.
Dmitruk, V. Romanyuk, Y. Barnakov, K. Tohji, V. Kumar, R. Belosludov, Y. Kawazoe, and N. Ohuchi, Eur. Phys.
J. D
34 (2005) 39-41.
46. Highly Controlled
Acetylene
Accommodation in a Metal-organic Microporous Materials. R. Matsuda, R. Kitaura, R. Kitagawa, Y.
Kubota, R.
V. Belosludov, T. C.
Kobayashi, H. Sakamoto, T. Chiba, M. Takata, Y. Kawazoe and Y. Mita,
Nature 436 (2005) 238-241.
45.
Electron and Transport Properties of Doped
Organic
Molecules for Molecular Wire Applications. R. V. Belosludov, A. A. Farajian,
H. Baba, H. Mizuseki, and Y. Kawazoe, Jpn. J. Appl. Phys. 44
(2005) 2823-2825.
44.
TiO2 (rutile) Doped with Double Impurities for
Fabricating Spintronic Devices - a Combinatorial Computational
Approach. P. Murugan,
R.
Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki
and Y. Kawazoe, Measurement Science Technology 16
(2005) 242-247.
43.
Structure and Electronic Properties of Metal
di-(4-thiophenyl)-porphyrin. Y.
Kikuchi, R. V. Belosludov, H. Baba, H. Mizuseki and Y. Kawazoe,
Molecular
Simulation 30 (2004) 929-933.
42.
Design of New Catalysts for Ecological High-quality Transportation
Fuels by Combinatorial Computational Chemistry and Tight-binding
Quantum Chemical Molecular Dynamics Approaches. M. Kubo, T. Kubota, C. H. Jung,
M. Ando,
S. Sakahara, K. Yajima, K. Seki, R.
Belosludov, A. Endou, S. Takami and A. Miyamoto, Catalysis Today 89 (2004) 479-493.
41.
Ab initio Study of Hydrogen Storage in Hydrogen
Hydrate Clathrates. M.H.F.
Sluiter, H. Adachi, R. V. Belosludov, V. R.
Belosludov and Y. Kawazoe, Mater. Trans. 45
(2004) 1452-1454.
40.
Electron Transport in Molecular Enamel Wires.
R. V. Belosludov, A. A. Farajian,
H. Mizuseki, K. Ichinoseki and Y. Kawazoe, Jpn. J. Appl. Phys. 43 (2004)
2061-2063.
39. Theoretical
Study of Clathrate Hydrates with Multiple Occupation. T. M. Inerbaev,
V. R. Belosludov, R. V.
Belosludov, M. Sluiter, Y.
Kawazoe and J.
Kudoh, Journal
of Inclusion Phenomena and Macroscopic Chemistry Supramolecular
Chemistry 48 (2004)
55-60.
38. Ultra-stable
Nanoparticles of CdSe Revealed from Mass Spectrometry. A.
Kasuya, R. Sivamohan, Y. A. Barnakov, I. M. Dmitruk, T. Nirasawa, V. R.
Romanyuk, V. Kumar, S. V. Mamykin, K. Tohji, V. Jeyadevan, K. Shinoda,
T. Kudo, O. Terasaki, Z. Liu, R.
V. Belosludov, V. Sundararajant and Y. Kawazoe, Nature
Materials, 3 (2004) 99-102.
37. Ab initio Study of Hydrogen Hydrate
Clathrates for Hydrogen Storage within the ITBL Environment. M.H.F. Sluiter, R.
V. Belosludov, A. Jain, V. R. Belosludov,
H. Adachi, Y. Kawazoe, K. Higuchi, and T. Otani, LECT.
NOTES COMPUT. SC. 2858 (2003) 330-341.
36. Genetic Algorithm
Approach to Aromatic Molecules for Nanoscale Device.
H. Mizuseki, N. Igarashi, R.
V. Belosludov, A. A. Farajian, and Y. Kawazoe, Mater. Sci. Eng. C 23 (2003) 807-809.
35. Theoretical Study of Donor - Spacer -
Acceptor Structure Molecule
for Stable Molecular Rectifier. H. Mizuseki, K. Niimura, C.
Majumder,
R. V. Belosludov, A. A. Farajian, and Y. Kawazoe, Molecular
Crystals
and Liquid Crystals 406
(2003) 195-204.
34. Molecular Orbital Analysis of Frontier Orbitals for Molecular
Electronics: A Case Study of Unimolecular Rectifier and Photovoltaic
Cell. H. Mizuseki, R. V. Belosludov, A. A. Farajian, N.
Igarashi, J.-T. Wang, H. Chen,
C. Majumder, S. Miura, and Y. Kawazoe, Sci. Technol. Adv. Mater. 4 (2003) 377-382.
33. Theoretical Study of Molecular Enamel
Wire
based on Polythiophene- Cyclodextrin Inclusion Complexes. R. V.
Belosludov,
H. Sato, A. A. Farajian, H. Mizuseki, and Y. Kawazoe, Molecular
Crystals
and Liquid Crystals 406
(2003) 205-211.
32. Theoretical Study of a Donor - Spacer -
Acceptor
Structure Molecule for Use as a Stable Molecular Rectifier: Geometric
and
Electronic Structures. H. Mizuseki, N. Igarashi, C. Majumder, R.
V.
Belosludov, A. A. Farajian, and Y. Kawazoe Thin Solid Films 438-439
(2003)
235-237.
31. Theoretical Study of Insulated Wires Based
on
Polymer Chains Encapsulated in Molecular Nanotube. R. V.
Belosludov,
H. Sato, A. A. Farajian, H. Mizuseki and Y. Kawazoe, Thin Solid Films 438-439
(2003) 80-84.
30. Theoretical Study of Phthalocyanine -
Fullerene
Complex for a High Efficiency Photovoltaic Device Using Ab-Initio
Electronic
Structure Calculation. H. Mizuseki, N. Igarashi, R. V.
Belosludov,
A. A. Farajian, and Y. Kawazoe, Synthetic Metals 138 (2003)
281-283.
29. Electronic Transport though Benzene
Molecule:
Effect of Gold Contacts. A. A. Farajian, R. V. Belosludov, H.
Mizuseki,
and Y. Kawazoe, Physica E 18 (2003) 253-254.
28. Dynamical, Thermodynamical and
Mechanical Properties of Gas Hydrate of Structure I and II. T. M.
Inerbaev, O.
Subbotin, V. R. Belosludov, R. V. Belosludov, Y. Kawazoe and J.
Kudoh,
Russian Chemical Journal XLVII (3) (2003) 19-27. (in Russian)
27. Theoretical Study of Chlorin-Fullerene
Supramolecular
Complexes for Photovoltaic Devices. H. Mizuseki, N. Igarashi, R.
V.
Belosludov, A. A. Farajian and Y. Kawazoe, Jpn. J. Appl. Phys. 42
(2003) 2503-2505.
26. The Polaron in a One-dimensional C60
Crystal. V. R. Belosludov, T. M. Inerbaev, R. V.
Belosludov, Y.
Kawazoe, Phys. Rev. B 67, (2003) 155410-1-155410-8.
25. Molecular Enamel Wires for Electronic
Devices:
Theoretical Study. R. V. Belosludov, H. Sato, A. A.
Farajian,
H. Mizuseki, K. Ichinoseki and Y. Kawazoe, Jpn. J. Appl. Phys. 42
(2003) 2492-2494.
24. Thermal Expansion and Lattice Distortion of
Clathrate
Hydrates of Cubic Structures I and II. V. R. Belosludov, T. M.
Inerbaev,
O. S. Subbotin, R. V. Belosludov, J. Kudoh, and Y. Kawazoe,
Journal
of Supramolecular Chemistry 2
(2002) 453-458.
23. Absolute Stability Boundaries of Clathrate
Hydrates
of Cubic Structure II. V. R. Belosludov, T. M. Inerbaev, R. V.
Belosludov,
J. Kudoh, and Y. Kawazoe, Journal of Supramolecular Chemistry 2
(2002)
377-383.
22. Fullerene and Culfur Compounds. H.
Takahashi,
E. Matsubara, R. V. Belosludov, S. Matsubara, N. Sato, A.
Muramatsu,
Y. Kawazoe and K. Tohji, Mater. Trans. 43 (2002) 1530-1532.
21. Combinatorial Computational Chemistry Approach
as
a Promising Method for Design of Fischer-Tropsch Catalysts based on Fe
and
Co. R. V. Belosludov, S. Sakahara, K. Yajima, S. Takami, M.
Kubo
and A. Miyamoto, Appl. Surf. Sci. 189
(2002) 245-252.
20. Combinatorial Computational Chemistry Approach
to
the Design of Methanol Synthesis Catalyst. S. Sakahara, K. Yajima, R.
Belosludov, S. Takami, M. Kubo and A. Miyamoto, Appl. Surf. Sci. 189
(2002) 253-259.
19. Theoretical Study on Inclusion Complex of
Polyaniline covered by Cyclodextrins for Molecular Device. R.
V.
Belosludov,
H. Mizuseki, K. Ichinoseki, Y. Kawazoe, Jpn. J. Appl. Phys. 41
(2002)
2739-2741.
18. Molecular
Dynamics Calculations of CO2/N2 Mixture through
the NaY Type Zeolite Membrane. K. Mizukami, H. Takaba, Y.
Kobayashi, Y.
Oumi, R.
Belosludov, S. Takami, M. Kubo and A. Miyamoto, J. Memb. Sci. 188 (2001) 21-28.
17. Theoretical Study on Fe-based Metal Clusters: Application in
Heterogeneous Catalysis. R. V. Belosludov, S. Takami,
M. Kubo M, A. Miyamoto
and Y. Kawazoe, Mater. Trans. 42 (2001) 2180-2183.
16. Elastic Moduli and Stability of
Ices and Clathrate Hydrates of Cubic Structure I. V. R.
Belosludov, T. M.
Inerbaev,
V. P. Shpakov, J. Tse, R. V. Belosludov and Y. Kawazoe, Russian
Chemical
Journal XLV (3) (2001) 45-50. (in Russian)
15. Periodic Density Functional Study on Adsorption
Properties of Organic Molecules on Clean Al (111) Surface. H.
Zhou,
H. Tamura, S. Takami, M. Kubo, R. Belosloudov, N. Zhanpeisov
and A.
Miyamoto, Appl. Surf. Sci. 158
(2000) 38-42.
14. First-principle Study on Reactions of Diamond (100) Surfaces
with Hydrogen and Methyl Radicals. H. Tamura, H. Zhou, Y.
Hirano,
S. Takami, M. Kubo, R. V. Belosludov, A. Miyamoto, A. Imamura,
M.
N. Gamo, T. Ando, Phys. Rev. B 62 (2000) 16995-17003.
13. Molecular Dynamics Studies of Surface
Difference Effect on Gas Separation by Zeolite Membranes. K.
Mizukami, Y.
Kobayashi,
H. Morito, S. Takami, M. Kubo, R. Belosludov, A. Miyamoto, Jpn.
J.
Appl. Phys. 39 (2000) 4385-4388.
12. Density-Functional
Theory of Potassium Atoms in Zeolite. K. N. Shrivastava, R. Belosludov, N. Zhanpeisov S.
Takami, M. Kubo
and A.
Miyamoto, Chem. Phys. Lett. 325 (2000) 1-6.
11. Mechanical Stability of Gas Hydrates
under Pressure.
V. R. Belosludov, V. P. Shpakov, J. S. Tse, R. V. Belosludov, Y.
Kawazoe,
Annals New York Academy of Sciences 912 (2000) 993-1002.
10. The Mechanisms for Pressure-induced Amorphization of ice Ih.
J. S. Tse, D. D. Klug, C. A. Tulk, I. Swainson, E. C. Svensson, C. K.
Loong,
V. P. Shpakov, V. R. Belosludov, R. V. Belosludov, Y. Kawazoe,
Nature
400 (1999) 647-649.
9. Ab initio and Lattice Dynamics Studied of
the Vibrational and Geometrical Properties of Molecular Complex of
Hydroquinone
and C60. R. V. Belosludov, M. Sluiter, Z. Li, Y.
Kawazoe,
Chem. Phys. Lett. 312 (1999) 299-305.
8. Intermolecular Bonds Bridging Two Anthracene
Molecules
in a γ-Cyclodextrin. R. V. Belosludov, T. Hiwada, Y.
Kawazoe,
K. Ohno, A. Ohnishiki, S. Nagasaka, T. Yoshinari, Journal of Solid
State
Chemistry 144 (1999) 263-268.
7. Ab initio and DFT Study of the Structures,
Vibrations,
and Energetic of the Urea Dimer ans Trimer. R. V. Belosludov,
Z. Li, Y. Kawazoe, Molecular Engineering 8 (1999) 105-119.
6. Lattice Dynamics of Helium Gas Hydrate Based
on Ice Framework: Dynamic and Thermodynamic Stability. R. V.
Belosludov,
Y. Kawazoe, E. V. Grachev, Y. A .Dyadin, V. R. Belosludov, Solid State
Communication
109 (1999) 157-162.
5. Numerical Simulation of Scattering of
Molecules
of Tris(dipivaloymethane) yttrium (Y(C11H19O2)3)
in the Potential Field of Crystal MgO. R. V. Belosludov, I.
K.
Igumenov, I. F. Golovnev, A. P. Kalinina, and O. V. Khokhlov, Thin
Solid
Films 292, (1997) 43-49.
4. Elastic Moduli and Instability in Molecular
Crystals.
V. P. Shpakov, J. S. Tse, V. R. Belosludov and R. V. Belosludov,
J.
Phys. Cond. Mat. 9 (1997) 5853-5865.
3. The Lattice Dynamics of ß-hydroquinone
Clathrate.
R. V. Belosludov, V. R. Belosludov and V. E. Zubkus, J. Chem.
Phys.
103 (1995) 2773-2778.
2. Dynamical and Thermodynamical Properties of
the Acetylacetones of Cooper, Aluminium, Indium, and Rodium. R.
V.
Belosludov,
I. K. Igumenov, V. R. Belosludov and V. P. Shpakov, Molecular Physics 82
(1994) 51-66.
1. Simulation of Low-temperature Phases of Solid C60. V. P.
Shpakov,
R. V. Belosludov and V. R. Belosludov, Superconductivity:
physics,
chemistry, technique 7 (1994) 1163-1170 (in Russian).
Chapter in Book:
7. Computational
Materials Science and Computer Aided Materials Design and Processing. R. V. Belosludov,
H. Mizuseki, R. Sahara, Y. Kawazoe, O. S.
Subbotin, R. K. Zhdanov, V. R.
Belosludov, in Handbook of Sustainable Engineering, ed.
by K-M Lee and J. Kauffman, Springer, New York, (2013) pp.
1215-1247.
6. Theories for
Nanomaterials to Realize a Sustainable Future. R. V. Belosludov,
N. S. Venkataramanan, H. Mizuseki, O. S. Subbotin, R. Sahara, V. R.
Belosludov,
and Y. Kawazoe, in Handbook of Nanophysics, ed.
by K. D. Sattler, CRC Press,
Taylor&Francis Group, Chapter 2 (2010) pp. 2-1-2-24.
5. Boron Nitride
Nanocage Clusters, Nanotubes, Nanohorns, Nanoparticles, and
Nanocapsules. T. Oku, I. Narita, N. Koi, A.
Nishiwaki, K. Suganuma, M. Inoue, K. Hiraga, T. Matsuda, M.
Hirabayashi, H. Tokoro, S. Fujiii, M. Gonda, M. Nishijima, T. Hirai, R. V. Belosludov,
and Y. Kawazoe, in B-C-N Nanotubes and Related Nanostructures, ed.
by Yoke Knip Yap,
(Springer Dordrecht Heidelberg London New York 2009) 149-194.
4. Calculating
Transport Properties of Nanometer-scale
Systems:
Nanodevice applications of carbon nanotubes and organic molecules. A.
A.
Farajian, R. V. Belosludov,
O. V. Pupysheva, H. Mizuseki, and Y. Kawazoe Nanostructures
― Fabrication and Analysis,
ed. by H. Nejo, (Springer-Verlag, Berlin, 2007) 217-250.
3. Electron Transport in Nanostructured
Systems - Ab initio Study. Y. Kawazoe, H. Mizuseki, R. Belosludov, and A.
Farajian, in Handbook of Theroretical and Computational Nanotechnology
(Vol. 10),
ed. by M. Reith and W. Schommers, (American scientific Publishers 2006)
211-238.
2. Combinatorial Computational Chemistry Approach in Design of New
Catalysts and Functional Materials. R. V. Belosludov, S.
Takami, M. Kubo,
and A. Miyamoto, in Combinatorial Materials Synthesis ed. by H. Koinuma
(Marcel Dekker, Inc. New York Basel 2003) 363-434.
1. Cluster
Investigations in Cyclodextrins
Inclusion
Compounds: Theory and Experiment. R. V. Belosludov, T.
Yoshinari,
T. Hiwada, Y. Kawazoe, K. Ohno and S. Nagasaka, in Clusters and
Nanomaterials
Theory and Experiment ed. by Y. Kawazoe, T. Kondow, K. Ohno
(Springer-Verlag
Berlin Heidelberg 2002) 109-131.
Conference Proceedings:
28. Atomistic-level description of clathrate hydrates
structure-property relationships toward gas storage and separation:
Lattice dynamics and first-principles methods. R.
V. Belosludov, O.
S. Subbotin, R. K. Zhdanov, Y. Y. Bozhko, K. V. Gets, Y. Kawazoe and V. R. Belosludov, The 9th
International Conference on Gas Hydrates, 25-30 June, 2017 Denver, Colorado, USA (on
USB device).
27. Prediction of Structure, Composition and Phase Behavior
of Helium Hydrates. V. Belosludov, O.
Subbotin, Y. Bozhko, R.
Belosludov,
H.
Mizuseki, Y. Kawazoe and V. Fomin, The
7th
International Conference on Gas Hydrates, 17-21 July, 2011 Edinburgh, UK (on
USB device).
26. Structural Transformations sI-sII Hydrogen-Methane and
Hydrogen-Ethane Clathrate Hydrates. O. S.
Subbotin, R. K. Zhdanov, V. R. Belosludov, R.
V.
Belosludov,
H.
Mizuseki, Y. Kawazoe,The 7th
International Conference on Gas Hydrates, 17-21 July, 2011 Edinburgh, UK (on
USB device).
25. Theoretical Aspects of Hydrogen Storage in Clathrate
Hydrates: Lattice Dynamics and First-principles Calculations. R.
V.
Belosludov,
H.
Mizuseki, Y. Kawazoe, O. S. Subbotin and V. R. Belosludov, The 7th
International Conference on Gas Hydrates, 17-21 July, 2011 Edinburgh, UK (on
USB device).
24. Theoretical Modeling of Phase Diagram of Clathrate
Hydrates toward Hydrogen Storage Applications. R. V.
Belosludov,
H.
Mizuseki, O. S. Subbotin, V. R. Belosludov and Y. Kawazoe,
TechConnect World 2011 Conference & Expo 2011, 13-16 June, 2011
Boston, USA (on CD).
23. Mixed H2-CH4 Hydrates as Materials
for Hydrogen Storage. R. V. Belosludov,
H.
Mizuseki, Y. Kawazoe, O. S. Subbotin and V. R. Belosludov, World
Hydrogen Energy Conference 2010, 16-21 May, 2010 Essen, Germany (on CD).
22. Accurate
Description of
Guest-Guest and Guest-Host Interactions in Hydrogen Clathrate: Role of
Help Gas
on Stability of Water Hydrate Framework. R. V. Belosludov,
H.
Mizuseki, Y. Kawazoe and V. R. Belosludov, The 6th International
Conference on
Gas Hydrates, 6-10 July, 2008 Vancouver, BC, Canada.
21. Accurate
Description of
Phase Diagram of Clathrate Hydrates on Molecular Level. V.
Belosludov, O.
Subbotin, R. Belosludov, H. Mizuseki and Y. Kawazoe, The 6th
International Conference on Gas Hydrates, 6-10 July, 2008 Vancouver,
BC,
Canada.
20. Competition
between
Intermolecular Interaction and Configuration Entropy as the
Structure-Determining Factor for Inclusion Compounds. O. Subbotin,
V.
Belosludov, T. Adamova, R. Belosludov, Y. Kawazoe and J. Kudoh,
The 6th
International Conference on Gas Hydrates, 6-10 July, 2008 Vancouver,
BC, Canada.
19. Role
of
Guest Molecules on the Formation of Clathrate Crystal Nuclei
Investigated by First-Principles Calculations. R. V. Belosludov,
V. R. Belosludov, J. Kudoh and Y. Kawazoe, The 5th International
Conference on
Gas Hydrates, 13-16 June, 2005, Trondheim,
Norway.
18. Structural
and Thermodynamic Properties of Gas Hydrate Immersed in the Ice Phase.
V. R. Belosludov, O.
S. Subbotin, D. S. Krupskii, T. Ikeshoji, R. V. Belosludov, Y. Kawazoe and J. Kudoh, The 5th
International Conference on Gas Hydrates, 13-16
June, 2005, Trondheim, Norway.
17. Theoretical study
of Hydrogen Clathrate Hydrates. M. Sluiter, T. M.
Inerbaev, R. V. Belosludov, Y. Kawazoe, O. S. Subbotin
and Y. Kawazoe, The 5th
International Conference on Gas Hydrates, 13-16 June, 2005, Trondheim,
Norway.
16. 導
電性ポリマーとシクロデキストリンによる
ナノテクノロジー用被覆導線実現, 下
村武史、伊藤耕三、水関博志、 R. V. Belosludov, A. A.
Farajian, H. Chen, 川
添良幸, ナノ学会会報 第１巻 第
２号 (2003) 67-71.
15. Clathrate Hydrates with Multiple Occupations:
Theoretical Study. R. V.
Belosludov,
T. M. Inerbaev, V. R. Belosludov, M. Sluiter, Y. Kawazoe and J. Kudoh,
The 4th
International Conference on Intelligent Processing and Manufacturing of
Materials, IPMM 03, 18-23 May, 2003, Sendai, Japan
(on CD).
14.
Realization
of “Molecular Enamel Wire” Concept for Molecular Electronics. R.
V. Belosludov, Hiroyuki Sato,
Amir A. Farajian, Hiroshi Mizuseki, Kyoko Ichinoseki and Yoshiyuki
Kawazoe,
Proceedings of the 4th International Conference on Intelligent
Processing and
Manufacturing of Materials, IPMM 03, 18-23 May, 2003, Sendai,
Japan (on
CD).
13. Electronic Structure of
Self-localized Excitons in One Dimensional C60
crystal.
V. R. Belosludov, T.M.Inerbaev, R.V.
Belosludov, Y.Kawazoe, The
4th International Conference on Intelligent
Processing and Manufacturing of Materials, IPMM 03, 18-23 May,
2003,
Sendai, Japan (on CD).
12 分子
デバイス用被覆導線安定構造と電子状態, 佐
藤博之, Rodion V. Belosludov,
Amir A. Farajian, 水関博志, 川添良幸2003年
ハイパフォーマンスコンピューティングと計算科学シンポジウム論文集IPSJ Symposium Series Vol. 2003, No.4 pp.117-120.
11. Elastic
Moduli and Mechanical Stability of Clathrates Hydrates of Cubic
Structure II.
V. R. Belosludov, T. M. Inerbaev, R. V. Belosludov and Y. Kawazoe,
Proceedings of the Fourth International Conference on Gas Hydrates, 2
(2002) 701-705.
10. Influence of Guest Molecules
Size on the Thermal Sxpansion of Clathrate Hydrates of Cubic Structures
I and II. V. R. Belosludov, T. M. Inerbaev, O. S. Subotin, R.
V. Belosludov and Y. Kawazoe, Proceedings of the Fourth
International conference on Gas Hydrates, 2 (2002)
599-603.
9. Role of Guest Molecules on the
Stability
of Different Cage-like Structures of Large Water Clusters Investigated
by First-principles Calculations. R. V. Belosludov, Y.
Kawazoe, V. R. Belosludov and F. A. Kuznetsov, Proceedings of the
Fourth International conference on Gas Hydrates, 2
(2002) 683-686.
8. Simulation Study on Geometric and
Electronic Structure of Photovoltaic Molecules Organic and Polymeric
Materials and Devices - Optical, Electrical and Optoelectronic
Properties. H. Mizuseki, N. Igarashi, C. Majumder, R. V.
Belosludov, A. A. Farajian, J.-T. Wang, H. Chen, and Y. Kawazoe,
Materials Research Society Symposium Proceedings, 725
(2002) 199-203.
7. Density Functional
Study on Adsorption of Small Molecules on Fe-based Clusters. R.
V. Belosludov, S. Takami M. Kubo, A. Miyamoto and Y. Kawazoe, PAP Conf. Series 3, Proceedings
of the International Symposium on Cluster Assembled Materials, (2001)
168-171.
6. Design of the Most Active Catalysts for Methanol
Synthesis: Combinatorial Computational Chemistry Approach. S.
Sahara, T. Kubota, K. Yajima, R. V.
Belosludov,
S. Takami, M. Kubo and A. Miyamoto, Proceeding of SPIE “Combinatorial
and Composition Spread Techniques in Materials and Device
Development II”, 4281 (2001) 97-102.
5. Theoretical Design of Heterogeneous
Catalysts by Combinatorial Computational Chemistry Approach:
Application to Fischer-Tropsch Synthesis. R. V.
Belosludov,
T. Kubota, S. Sakahara, K. Yajima, S. Takami, M. Kubo and A. Miyamoto,
Proceedings
of SPIE “Combinatorial and Composition
Spread Techniques in Materials and Device Development II”, 4281
(2001) 87-96.
4. Lattice Dynamics Simulations of Resonant
Scattering of Lattice Phonons of Clathrate Compounds by Guest Atoms.
R. V.
Belosludov, V. P. Shpakov,
V. R. Belosludov, N. D. Luzhkovskaya, Y. Kawazoe, J. S. Tse, in “Intelligence in a
Materials World. Selected papers from IPMM2001”, CRC PRESS (2001)
367-375.
3. Combinatorial
Computational Chemistry Approach to Design of Catalysts. K. Yajima,
S.
Sakahara, Y. Ueda, R. V. Belosludov, S. Takami, M. Kubo and A.
Miyamoto.
Proceedings of SPIE “Combinatorial and
Composition Spread Techniques in Materials and Device Development”,
3941
(2000) 62-69.
2. Combinatorial Computational Chemistry
Approach to the Design of Metal Oxide Electronics Materials.
R. V. Belosludov, S. S. C. Ammal, Y. Inaba, Y. Oumi, S.
Takami, M.
Kubo, A. Miyamoto, M. Kawasaki, M. Yoshimoto, H. Koinuma. Proceedings
of SPIE “Combinatorial and Composition Spread
Techniques in Materials and Device Development”, 3941
(2000) 2-10.
1. Dynamic Properties
and Stability of Helium Gas Hydrates based on Ice Framework from
Lattice Dynamics Computer Simulations. R. V. Belosludov, E.
V.
Grachev, Y. A.
Dyadin V. R. Belosludov, Proceedings of
the 2nd International Conference on Natural Gas Hydrates, Toulouse Cedex (France), (1996) 303-309.
International Conferences
(Oral Presentations):
94. Universal Origin of Boson Peak Vibrational
Anomalies in hexagonal and low density amorphous ices. 9th International Discussion Meeting on
Relaxation in Complex Systems (9IDMRCS), 12-18 August, 2023 Chiba,
Japan.
93. Theoretical study of gas storage
and separation in clathrate hydrates: Role of guest-host and
guest-guest interactions. The 10th
International Conference on Gas Hydrates, 09-14 July, 2023, Singapore.
92. DFT study of
hydrogen-evolution reaction on
Mo-based alloys. MRS
Fall Meeting, 27 November
- 2 December, 2022 Boston,
USA.
91. (Invited)
Theoretical study on functional defects and dopants in
carbon-based nanomaterials.
21st International Union of Materials Research Societies- International
Conference in Asia (IUMRS-ICA 2020) & MRS-Thailand 2021, 23-26
February, 2021, Chiang Mai, Thailand (virtual).
90. (Invited)
Dynamic inhomogeneity of hydrogen bonding network in
TIP4P/2005 Water.
Satellite Event Glass Workshop, The 3rd Symposium for The Core Research
Clusters for Materials Science and Spintronics, 9 February, 2020,
Sendai, Japan.
89. (Invited)
Atomistic level description of functional materials. "Hot topics in solid state chemistry: From
new ideas to new materials", (HTSSC 2019) 1-5 October, 2019,
Novosibirsk, Russia.
88. Theoretical study of porphyrin-based MOF structure for
storage, separation and drug delivery applications.
258th
ACS National Meeting, 25-29 August, 2019, San Diego, USA.
87. Atomistic-level description of stability and composition
of multi-component clathrate hydrates.
258th
ACS National Meeting, 25-29 August, 2019, San Diego, USA.
86.
(Invited)
Structure-property
relationship of nanoporous materials based on guest-host interaction. The 10th
Conference of Asian Consortium for Computational Materials
Science, 22-26 July, 2019, Hong Kong SAR, China.
85. Thermodynamic description
of storage ability of nanoporous materials: Lattice dynamics and
first-principles methods. European Materials Research Society (E-MRS) Spring Meeting,
27
- 31 May, 2019 Nice,
France.
84. (Invited) Theoretical
description of amorphous ices.
Satellite Event Glass Workshop, The 2nd Symposium for Materials Science
and Spintronics - 2019, 15 February, 2019,
Sendai, Japan.
83. Theoretical study on
polymorphic transformations in amorphous ice. MRS
Fall Meeting, 25
- 30 November, 2018 Boston,
USA.
82. (Invited) Theoretical
aspects in realization of functional nanomaterials for
energy and
medical applications. Russia-Japan Joint Seminar
"Non-equilibrium processing of materials: experimental and modeling",
1-3 October, 2018, Novosibirsk, Russia.
81.
(Invited)
Gas storage and separation in nanoporous
materials: Role of interaction between adsorbed gas molecules. ACCMS-Theme
Meeting on “Multiscale Modelling of Materials for Sustainable
Development”, 7-9 September, 2018, Hanoi, Vietnam.
80.
(Invited)
Functional nanomaterials for energy and
medical applications: Theoretical aspects. Single
Nanostructures, Nanomaterials, Aerogels and their Interactions:
Combining Quantum Physics and Chemistry, International Workshop
(CPQC18), 27-31 August, 2018, Dresden, Germany.
79. Role of
guest-host and guest-guest interactions in selective gas adsorption
mechanism in MOF materials: Theoretical aspects.
256th
ACS National Meeting, 19-23 August, 2018, Boston, USA.
78. (Keynote)
Theoretical aspects in realization of functional nanomaterials for
energy and medical applications. The 12th General Meeting of ACCMS-VO, 17-19
December, 2017 Sendai, JAPAN.
77. Conceptual design of the
functional defects and dopants in carbon-based nanomaterials. MRS
Fall Meeting, November 26 - December 1, 2017 Boston,
USA.
76.
(Invited)
Theoretical Study of Functional Carbon
Nanomaterials based on tetraazaporphyrin subunits. 2017
International
Conference on Functional Carbons (2017 ICFC), 1-4 November, 2017,
Taipei, Taiwan.
75. Role of
Nano-sized TiO2 Particles in Catalytic Decomposition of
Ammonium Perchlorate.
254th
ACS National Meeting, 20-25 August, 2017, Washington DC, USA.
74.
(Invited)
Design of Porphyrin-based Functional
Nanoporous Materials. The 9th
Conference of Asian Consortium for Computational Materials
Science, 8-11 August, 2017, Kuala Lumpur, Malaysia.
73. Atomistic-level
Description
of Clathrate Hydrates Structure-property Relationships toward Gas
Storage and Separation: Lattice Dynamics and First-principles
Methods. The 9th
International Conference on Gas Hydrates, 25-30 June, 2017 Denver, Colorado, USA.
72. (Invited)
Theoretical Study of Electronic Properties of Atom/molecule Structures
Deposited on Various Surfaces.
4th Seminar dedicated to the memory of Professor Fedor
Kuznetsov: Problems of chemical deposition from the gas phase, 01-03
February, 2017 Novosibirsk, Russia.
71. (Invited)
Clathrate Hydrate for Energy
Storage and Transport. The 11th General Meeting of ACCMS-VO, 19-21
December, 2016 Sendai, JAPAN.
70. Catalytic Activity of
Nano-sized TiO2 Particles toward Decomposition of Ammonium
Perchlorate. MRS
Fall Meeting, November 27 - December 2, 2016 Boston,
USA.
69. (Invited) Role of Computational
Materials Science in Realization of Advanced Energy Materials and
Nanostructures. 2016 Russia-Japan Conference Advanced Materials:
Synthesis, Processing and Properties of Nanostructures, 30
October - 3 November, 2016, Novosibirsk, Russia.
68. Nanoporous Materials fir Gas
Storage and Separation: Theoretical Aspects.
252th
ACS National Meeting, 20-25 August, 2016, Philadelphia, USA.
67. (Invited) Atomistic level description of amorphous
soilds: Structural, dynamic and thermodynamic properties. 23rd International Symposium on Metastable,
Amorphous and Nanostructured Materials (ISMANAM 2016), 3-7
July, 2016, Nara, JAPAN.
66. (Invited) Clathrate
Hydrates as
Materials for Hydrogen Storage Applications: Theoretical Aspects.
Pacifichem 2015, 15-20 December, 2015 Honolulu, USA.
65. Simulation Approach to Design of Nanoporous
Materials for Gas Storage and Separation Application. MRS
Fall Meeting, November 29 - December 4, 2015 Boston,
USA.
64. (Invited)
Theoretical
Study of Functional Nanoporous Materials. The 10th General Meeting of ACCMS-VO, 1-3 November, 2015 Sendai, JAPAN.
63. (Invited) Nanoporos Materials for
Energy Storage: Theoretical Aspects. International Conference on Functional
Materials for Frontier Energy Issues (ICFMFEI), 1-5 October, 2015, Novosibirsk, Russia.
62.
Thermodynamic
Properties of Carbon Dioxide Clathrate Hydrates toward CCUS
application.
250th
ACS National Meeting, 16-20 August, 2015 Boston, USA.
61. Theoretical
Study on Gas Separation in MOF
Structures. The 9th General Meeting of ACCMS-VO, 20-22 December, 2014 OIST, Okinawa,
JAPAN.
60. Theoretical
Study of Molecular Separation in Nanoporos Materials for Realization
Sustainable Future. MRS
Fall Meeting, November 30 - December 5, 2014 Boston,
USA.
59. Thermodynamic of Nanoporous
Materials: Atomistic Level Description with Applications to Energy
Storage. International
Conference "Science of the Future",
17-20 September, 2014 St. Peterburg,
Russia.
58. (Invited) Theoretical Aspects of
Atomistic Level Description of Nanoporous Materials. International Workshop on Transition Metal
Clusters (IWTMC-IV), 8-11 September,
2014 Novosibirsk,
Russia.
57. Computational Modelling of
Thermodynamic Properties of Nanoporous Materials toward Gas Storage and
Separation. XXVIIUPAP Conference on
Computational Physics ,
XXVIIUPAP Conference on Computational Physics (CCP2014) , 11-14 August, 2014 Boston,
USA.
56. Theoretical
Study of Nanoporous Materials for Gas Storage and
Separation. MRS
Fall Meeting, 1-6 December, 2013 Boston,
USA.
55. First-principles
Study of Metal-Organic Framework Materials for selective Molecular
Separation: The Role of Host-Guest Interactions. EUROMAT 2013, 8-13 September, 2013, Sevilla, Spain.
54. Computational Model for Gas
Storage in Clathrate Hydrates. EUROMAT 2013, 8-13
September, 2013, Sevilla, Spain.
53. Atomistic Level Description
of Phase Diagram of Gas Clathrate Hydrates with Complex Gas Compositions. APS March Meeting 2013, 18-23 March, 2013 Baltimore, USA.
52. (Invited) Atomistic Level Description
of Molecular/Atom Nano-structures Deposited on Si Surface. Japan-Russia CVD Seminar, 9 March, 2013, Sendai, Japan.
51. (Invited) Molecular Level Description
of Physical and Chemical Properties of Nanoporous Materials with
Applications to Energy Storage. 2012 EMN Fall Meeting, November 29 - December 2, 2012 Las Vegas, USA.
50. Theoretical Aspects of Gas
Storage in Clathrate Hydrates for Realization sustainable Future. MRS
Fall Meeting, 25-30 November, 2012 Boston, USA.
49. Atomic Level Description of
Glass Transition Behaviour of Zr-Cu-Al: Structural, Dynamic and
Thermodynamic Properties. MRS
Fall Meeting, 25-30 November, 2012 Boston, USA.
48. Capping Ligand Protection
of Core/Shell
Quantum Dots: Theoretical Study. MRS
Fall Meeting, November
28 – December 2, 2011 Boston, USA.
47. Design of Metal-Organic
Framework Materilas
for Selectve Gas
and Drug Separation: The Role of Host-guest Interaction. The
6th
Conference of Asian Consortium for Computational Materials Science, 6-9
September, 2011, Singapore.
46. Theoretical
Modeling of Phase Diagram of Clathrate Hydrates toward Hydrogen Storage
Applications. TechConnect
World 2011 Conference & Expo 2011, 13-16 June, 2011 Boston, USA.
45. Theoretical Study of Quantum Dots/Organic Ligands Interface. The 9th
International
Conference
on
Nano-Molecular Electronics, 14-16 December, 2010, Kobe, Japan.
44. The Role of Host-Guest Interaction in
design of Metal-Organic Framework Materilas for Selectve Gas
and Drug Separation: Theoretical Aspects. MRS
Fall Meeting, November
29 – December 3, 2010 Boston, USA.
43. (Invited) An Atomistic Level
Description of Properties of Complex Materials. Novosibirsk-Tohoku Global COE Conference for Young
Scientists: New Processes for Syntheses of Multifunctional
Multicomponent Materials, 21-22 September, 2010,
Novosibirsk, Russia.
42. Theoretical
Aspects of Hydrogen storage in Clathrate Hydrates. 12th International Conference on the Physics
and Chemistry of Ice, 5-10 September, 2010 Sapporo, Japan.
41. Properties
of Amorphous Solid Ice and the Polyamorphism Transformation under
Pressure: Theoretical Aspects. 12th International Conference on the Physics and Chemistry of
Ice, 5-10 September, 2010 Sapporo, Japan.
40. Computer
Simulation of Methane-Helium Gas Mixture Separation at Gas Hydrate
Formation. 12th International Conference on the Physics
and Chemistry of Ice, 5-10 September, 2010 Sapporo, Japan.
39. Atomistic Level
Description of Quantum Dots/Organic Ligands Interface by Ab Initio Calculations. 240th
ACS National Meeting, 22-26 August, 2010 Boston, USA.
38. Hydrogen Storage in Clathrate Hydrate:
Molecular Level Description of Thermodynamics Propeties. Renewable Energy 2010 International
Conference, 27 June - July, 2010
Yokohama, Japan.
37. Mixed
H2-CH4 Hydrates as Materials for Hydrogen
Storage. World
Hydrogen Energy Conference 2010, 16-21 May, 2010 Essen, Germany.
36. Metal-Organic Framework Materilas for Gas
and Drug Separation: Theoretical
study. 2010
International Conference on Nanoscience and Nanotechnology, 22-26
February, 2010 Sydney, Australia.
35. Theoretical Study of ZnO
Nanoparticles: Stable Onion Configurations. MRS
Fall Meeting, November
30 – December 4, 2009 Boston, USA.
34. (Invited) Theoretical Study of Transport
Properties in One-dimension Nanosystems for Application in Molecular
Electronics.
Russian-JapaneseWorkshop (Review Conference): State of Materials
Research and New Trends in Material Science, 3-5 August, 2009,
Novosibirsk, Russia.
33.
Metal-Organic Framework Materilas for Stereo-Selective Separation: Theoretical
study.
The 3rd International
Conference
of
Nanobiotechnology & Nanomedicine, 22-24 June 2009, San Francisco,
USA.
32. Theoretical
study of the
Quantum Dots/Organic Ligands
Interface for Application in Early Cancer Detection. The 6th
International
Conference
on Biomedical Applications of Nanotechnology, 4-6 March, 2009, Berlin,
Germany.
31. Theoretical
study on Transport Properties
of One-dimension Nanosystems. The 8th International
Conference
on
Nano-Molecular Electronics, 16-18 December, 2008, Kobe, Japan.
30. Ab initio Study on the
Quantum Dot
Organic Ligand Interface: Effect of Core Structure on Cytotoxicity. The
5th
International Congress of NanoBio & Cleantech 2008, 26-31 October
2008, San
Francisco, USA.
29.
Accurate Description of Guest-Guest and
Guest-Host Interactions in Hydrogen Clathrate: Role of Help Gas on
Stability of Water Hydrate Framework. 6th International Conference on Gas Hydrates,
6-10 July, 2008 Vancouver, BC, Canada.
28. Ab initio
Description of the Quantum Dot with Novel Core structure and their
Interaction with Organic Ligand. Particles 2008, 10-13 May, 2008 Orlando, USA.
27. Transport Properties of One-Dimension
Nanosystems for Application in Molecular Electronics. 2008
International Conference on Nanoscience and Nanotechnology, 25-29
February, 2008 Melbourne, Australia.
26. Physical and Chemical Properties of
Hydrogen Clathrate Hydrate: Theoretical Aspects of Energy Storage
Applications.
MRS
Fall Meeting, 26-30 November, 2007 Boston, USA.
25. An Atomistic Level
Description of the Quantum Dots Organic Ligand Interface by Ab initio
Calculations: Effect of Core Structure on Cytotoxicity.
MRS
Fall Meeting, 26-30 November, 2007, Boston, USA.
24. Transport Properties of Carbon Nanotubes:
Effect of Organic Molecules Encapsulation.
MRS
Fall Meeting, 26-30 November, 2007, Boston, USA.
23. Ab initio Description
of the Quantum Dots/Organic Ligands
Interface: Effect of Core Structure on
Cytotoxicity. The 4th
Conference of Asian Consortium for Computational Materials
Science, 12-16 September, 2007, Seoul, Korea.
22. Transport Properties of Carbon Nanotubes:
Doping Effect of
Organic Molecules. International Symposyum on Theories of
Organic/Metal
Interfaces, 15-17 January, 2007, Osaka, Japan.
21. Molecular Doping Effect on
Electron and Transport Properties
of Carbon Nanotube. The 7th International Conference
on
Nano-Molecular Electronics, 13-15 December, 2006, Kobe, Japan.
20. CdSe-Core
Quantum Dots with Novel Structure and Electronics Properties.
MRS
Fall Meeting, November
27 – December 1, 2006, Boston,
USA.
19.
Structural, Electronics and Transport
Properties of Doped
Carbon Nanotube. International Congress of Nanotechnology,
October 30 - November 2, 2006 San Francisco, USA.
18. Electronic
and Structural Properties of Novel Quantum Dots for Application to
Early Cancer
Diagnostics. 2006
International Conference on Nanoscience and Nanotechnology, 3-7
July, 2006 Brisbane, Australia.
17. Theoretical Study of Transport in
Nano-scale Systems for Molecular Wire Application. 2006
International Conference on Nanoscience and Nanotechnology, 3-7
July, 2006 Brisbane, Australia.
16. Theoretical Study of
CdSe-based Nanomaterials for
Nanomedicine Application. MRS
Fall Meeting, November
29 – December 2, 2005, Boston,
USA.
15. Electronic and Structural Properties of
Organic Molecules
inside Carbon Nanotube. International Conference on Solid State
Devices and
Materials (SSDM 2005), September 13-15, 2005, Kobe, Japan.
14. Ab
Initio Computer Simulation to Predict New Materials for
Nanotechnology. 5th Intelligent Processing &
Manufacturing of
Materials (IPMM 2005), July 19-23, 2005 Monterey, USA.
13. Electronic
and Transport Properties of Molecular Wires. International
Conference on solid State Devices
and Materials, September 15-17, 2004 Tokyo, Japan.
12. Realization of Molecular and
Atomic Interconnects for Molecular Electronics. Second
Conference of Asian Consortium for Computational Materials Science,
July 14-16, 2004, Novosibirsk, Russia.
11. (Invited) “Molecular
Enamel Wire” – Interconnects for Molecular Electronics: Theoretical
Study.
International Workshop on Smart Interconnects (IWSI), November 6-8, 2003, Atami,
Japan.
10. Theoretical Study of Molecular Enamel Wire for
Molecular Electronics. 2003 TMS
Electronic Materials Conference, June 25-27, 2003, Salt Lake City, USA.
9. Clathrate Hydrates with Multiple Occupations:
Theoretical Study. The 4th International Conference on
Intelligent Processing and Manufacturing of Materials, IPMM 03,
May 18-23,
2003, Sendai, Japan.
8. Realization of “Molecular Enamel
Wire” Concept for Molecular Electronics. The 4th International
Conference
on
Intelligent Processing and Manufacturing of Materials, IPMM 03,
May 18-23,
2003, Sendai, Japan.
7. Electronic Structure of Self-localized
Excitons in One Dimensional C60 crystal. The 4th
International
Conference on Intelligent Processing and Manufacturing of Materials,
IPMM 03, May 18-23, 2003, Sendai,
Japan.
6. Theoretical Study of
Single
Conducting Molecular Wire Covered by Molecular Nanotube: Application in
Molecular Electronics. MRS Spring Meeting 2003, April 21-25, San Francisco, USA.
5. Molecular Enamel Wires for
Electronic Device: Theoretical Study. International Conference on Solid State
Devices and Materials, September 17-19, 2002, Nagoya, Japan.
4. Theoretical Study on
Inclusion Complex of Polyaniline Covered by Cyclodextrins for Molecular
Device. International
Conference on Solid State Devices and Materials, September
26-28, 2001, Tokyo,
Japan.
3. Lattice Dynamics
Simulations of Resonant Scattering of Lattice Phonons of Clathrate
Compounds by Guests Atoms. The 3rd International
Conference on
Intelligent Processing and Manufacturing of Materials, IPMM 01,
July 29 -
August 3, 2001, Vancouver, Canada.
2.
(Invited)Combinatorial
Computational Approach as a Promising Method for Design of New
Catalysts based
on TiO2. International Symposium on Molecular
Design of
Catalysts, August 22, 2000, Sendai,
Japan.
1.
Theoretical Study
on Transition Metal Clusters: Application in Heterogeneous Catalysis.
International Workshop on Materials Design by Computer simulation at
Atomic and
Electron Levels, August 18-19, 2000, Sendai, Japan.
Japanese
Conferences
(Oral Presentations):
24. Theoretical
design of porphyrin-based nanostructures.
ナノ学会２０１９年(第１7回)大会 ２０１９年５月９日〜１１日かごしま県
民交流センター、鹿児島市。
23. Theoretical study of Si
clathrate/c-Si interface. 日本金属学会２０１９年春期(第１６４回)大会 ２０１９年３月２０日〜２２日 東京電機大学 東京千住キャンパス、東京。
22.
クラスレートハイドレー
トを用いた新規温室効果ガス貯留材
料の述. 第
5回LC-IMR主催ワークショップ、２０１３年１２月１２日、東北大学原子分子材料科学高等研究機構 仙台市。
21. Modeling of Composition and
Formation Conditions of Binary Hydrates with Methane and Carbon
Dioxide. ナノ学会２０１３年(第１１回)大会 ２０１３年６月６日〜８日東京工業大学大
岡山キャンパス、東京。
20. （招待講演）Theoretical Study of Nanoporous Materials
to Gas Storage Applications, 金属材料研
究所125回講
演会、２０１３年５月２２日-５月２３日東北大学金属材料研究所、 仙台市。
19. Structural, Dynamic and
Thermodynamic Properties of Ni during the Cooling Process.日本金属学会２０１２年春期(第１５０回)大会 ２０１２年３月２８日〜３０日 横浜国立大学常盤台キャ
ンパス、横浜市。
18. An Atomistic Level Description of
the Quantum Dot Organic Ligand Interface.日本金属学会２０１０年春期(第１４６回)大会 ２０１０年３月２８日〜３０日
筑波大学、つくば市。
17. Theoretical Study of Hydrogen
Clathrate Hydrate as Hydrogen Storage Material.
日本金属学会２００９年春期(第１４４回)大会２００９年３月２８日〜３０日東京工業大学大岡山キャンパス、東京。
16.
Phase Diagram of Hydrogen Clathrate Hydrate:
Application for Hydrogen Storage. 日本金属学会２００８年春期(第１４２回)大会 ２００８年３月２６日〜２８日
武蔵工業大学世田谷キャンパス、東京。
15. Theoretical
Study of Electronic
and Transport Properties of Doped Carbon Nanotube.
第６６回
応用物理学会学術講演会、２００５年９月７日〜１１日、徳島大学キャンパス、徳島。
14.
Energetic and Electronics Structures of Organics/carbon Nanotube
Compounds. 第25回フラーレン･ナノチューブ
総合シンポジウム、２００３年７月２３日〜２５日、淡路夢舞台国際会議場、淡路。
13.
Theoretical Evidence of Cage-like CdSe Clusterts.
第24回フラーレン･ナノチューブ総合シンポジウム、２００３年１月８日〜１０日、岡崎コンファレンスセンター、岡崎。
12.
Investigation of Structural and Catalytic Properties of Fe-based
Fischer-Tropsch Catalysts: Application
of Density Functional Theory. 日本化学会第７９春季年会２００１年３月２８日〜３１日、甲南大学岡本キャンパス、神戸。
11. Role of Promoter on Transition Metal
Catalysts in Fischer-Tropsch Synthesis: Denisty Functional Study.
第８７回触媒討論会、２００１年３月２７日〜２８日、関西大学１００年周記念会館、
大阪。
10. Density
Functional Study of Electronic Properties of Co doped SrTiO3. 第４８回応用物理学関係連合講演会，２００１年３月２８日〜３１日、明治大学 駿河台キャンパス、東京。
9. Computational
Study on Reaction Mechanism of
Fischer-Tropsch Synthesis on Fe-based Multi-component Catalysts. 第３０回石油・石油化学討論会、２０００
年１１月６日〜７日、 東京ファッションタウン（TFT)ビル、東京。
8. Density Functional
Study on Reaction Mechanism of Fischer-Tropsch
synthesis: Combinatorial Computational Chemistry Approach. 第８６回触媒討論会、２０００年９月１９日〜２２
日、鳥取大学、鳥取。
7. Comparative
Study on Electronic and Structural Properties of Rutile and Anatase TiO2:
The Role of Metal Dopands. 第６１回応用物理学会学
術講演会、２０００年９月３日〜７日，北海道工業大
学、札幌。
6. Density Functional
Study of Metal Catalysts for Fischer-Tropsch Synthesis.
第８５回
触媒討論会、２０００年３月２７日〜２８日、千葉工業大学津田沼キャンパス、習
志野。
5. Density
Functional Study of Metal Catalysts for Fischer―Tropsch Synthesis. 日本化学会第７８
春季年会２０００年３月２８日〜３１日、日本大
学船橋キャンパス、東京。
4.
Density Functional Study of Electronic Properties of Metal Dopants in
and on
TiO2.
第４７回応用物理学関係連合講演会，２０００年３月２８日〜３１
日、青山学院大学青山キャンパス、東京。
3. Density Functional
Study of Fischer-Tropsch Synthesis: Role of Multicomponent Catalysts
on Activation of Carbon Monoxide. 第２９回石油・石油化学討論会、１９９９年１１月１７日〜１８日、福岡、九州。
2. Activation
of CO on Transition Metal Catalysts for Fischer-Tropsch Synthesis:
Density Functional Study. 第８４回触媒討論
会、１９９９年９月２９日〜１０月２日、秋田大学、秋田。
1. Electronic and
Structural Properties of Rutile TiO2: The Role of Metal
Dopands.
第６０回応用物理学会学術講演会、
１９９９年９月１日〜４日，甲南大学岡本キャンパス、神戸。
Invited Lectures:
1.
Title:
CdSe-Based particles with Novel Structural and Electronic
Properties.
Department of Chemistry and Biochemistry, University of Minnesota
Duluth, 17 November 2006.
2. An Atomistic
Level Description of
Properties of
Complex Materials.
Seminar IRSACM, Universite Paul Sabatier, Toulouse, France, 12 December 2011.
3. Physical and
Chemical Processes on Surface: Theoretical Aspects.
Antelope Valley College, Lancaster, 19 September 2013.
4. Physical and Chemical Properties
of Nanoporous Materials with Applications to Energy Storage.
Nikolaev
Institute of Inorganic Chemistry, SB RAS, Novosibirsk, 04 March 2015.
5. Atomistic Level Description of Complex
Materials for Various Applications.
Institute of Solid State Chemistry and Mechanochemistry, SB RAS,
Novosibirsk, 05 March 2015.
6. Atomistic Level Description of Complex
Materials for Various Applications.
Novosibirsk State Technical University, Novosibirsk, 06 March 2015.
7. Role
of Nanoporous Materials in Sustainable Energy Solutions.
Novosibirsk State Technical University, Novosibirsk, 30 September 2015.
8. Role
of Nanoporous Materials in Sustainable Energy Solutions.
Novosibirsk State University,
Novosibirsk, 01 October 2015.
9. Theoretical Aspects in Realization
of Functional Nanoporous Materials.
Seminar Series in Chemical Engineering, The University of Rhode Island,
Kingston, RI, USA, 1 December 2015.
10. Theoretical Aspects in Realization of
Functional Nanoporous Materials.
Seminar IRSACM, Universite Paul Sabatier, Toulouse, France, 16 March 2017.
11. Theoretical
Aspects in Atomistic Level
Description of Functional
Nanoporous Materials.
University of Manitoba, Winnipeg, Canada, 22 September 2017.
12. Theoretical
Aspects in Description of Amorphous Solids at Atomistic Level.
Lavrentyev
Institute of Hydrodynamics, SB RAS,
Novosibirsk, 29 September 2017.
13. Computational
Materials Science and Computer aided Materials Design.
Novosibirsk
State University,
Novosibirsk, 02 October 2017.
14. Theoretical
Study of Gas Storage and Separation in Nanoporous
Materials.
Department of
Chemistry, The University of Tennessee, Knoxville, USA, 05 December
2022.
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