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Results: 1-25/36
Authors:
Nakano, A
Bachlechner, ME
Kalia, RK
Lidorikis, E
Vashishta, P
Voyiadjis, GZ
Campbell, TJ
Ogata, S
Shimojo, F
Citation: A. Nakano et al., Multiscale simulation of nanosystems, COMPUT SC E, 3(4), 2001, pp. 56-66
Authors:
Takakura, S
Minoura, H
Shimoshige, Y
Minoura, K
Kawamura, I
Fujiwara, T
Saitoh, T
Shimojo, F
Seki, J
Goto, T
Citation: S. Takakura et al., Enzyme specificity and tissue distribution of zenarestat, an aldose reductase inhibitor, and its relevance in the use of zenarestat as a therapeutic agent against diabetic neuropathy, DRUG DEV R, 54(1), 2001, pp. 27-34
Authors:
Vashishta, P
Bachlechner, M
Nakano, A
Campbell, TJ
Kalia, RK
Kodiyalam, S
Ogata, S
Shimojo, F
Walsh, P
Citation: P. Vashishta et al., Multimillion atom simulation of materials on parallel computers - nanopixel, interfacial fracture, nanoindentation, and oxidation, APPL SURF S, 182(3-4), 2001, pp. 258-264
Authors:
Shimojo, F
Hoshino, K
Citation: F. Shimojo et K. Hoshino, Microscopic mechanism of proton conduction in perovskite oxides from ab initio molecular dynamics simulations, SOL ST ION, 145(1-4), 2001, pp. 421-427
Authors:
Shimojo, F
Hoshino, K
Zempo, Y
Citation: F. Shimojo et al., Stability of the chain structure in liquid KxTe1-x (x=0.0, 0.2, and 0.5): Ab initio molecular-dynamics simulations - art. no. 094206, PHYS REV B, 6309(9), 2001, pp. 4206
Authors:
Kodiyalam, S
Kalia, RK
Kikuchi, H
Nakano, A
Shimojo, F
Vashishta, P
Citation: S. Kodiyalam et al., Grain boundaries in gallium arsenide nanocrystals under pressure: A parallel molecular-dynamics study, PHYS REV L, 86(1), 2001, pp. 55-58
Authors:
Shimojo, F
Kalia, RK
Nakano, A
Vashishta, P
Citation: F. Shimojo et al., Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: design, analysis, and scalability test of parallel algorithms, COMP PHYS C, 140(3), 2001, pp. 303-314
Authors:
Ogata, S
Lidorikis, E
Shimojo, F
Nakano, A
Vashishta, P
Kalia, RK
Citation: S. Ogata et al., Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers, COMP PHYS C, 138(2), 2001, pp. 143-154
Authors:
Hoshino, K
Shimojo, F
Zempo, Y
Citation: K. Hoshino et al., Metal-semiconductor transition in liquid-alkali-Te mixtures: ab initio molecular-dynamics simulations, J PHYS-COND, 12(8A), 2000, pp. A189-A194
Authors:
Munejiri, S
Shimojo, F
Hoshino, K
Citation: S. Munejiri et al., Photo-induced structural change in liquid sulphur, J PHYS-COND, 12(37), 2000, pp. 7999-8008
Authors:
Senda, Y
Shimojo, F
Hoshino, K
Citation: Y. Senda et al., The ionic structure and the electronic states of liquid Li-Pb alloys obtained from ab initio molecular dynamics simulations, J PHYS-COND, 12(28), 2000, pp. 6101-6112
Authors:
Shimojo, F
Munejiri, S
Hoshino, K
Zempo, Y
Citation: F. Shimojo et al., Temperature dependence of the atomic structure of liquid As2Se3: ab initiomolecular dynamics simulations, J PHYS-COND, 12(28), 2000, pp. 6161-6172
Authors:
Munejiri, S
Shimojo, F
Hoshino, K
Citation: S. Munejiri et al., Dynamic structure of expanded liquid rubidium from a molecular-dynamics simulation, J PHYS-COND, 12(19), 2000, pp. 4313-4326
Authors:
Vashishta, P
Bachlechner, ME
Campbell, T
Kalia, RK
Kikuchi, H
Kodiyalam, S
Nakano, A
Ogata, S
Shimojo, F
Walsh, P
Citation: P. Vashishta et al., Multimillion atom simulations of nanostructured materials on parallel computers - Sintering and consolidation, fracture, and oxidation, PROG T PH S, (138), 2000, pp. 175-190
Authors:
Hoshino, K
Shimojo, F
Zempo, Y
Citation: K. Hoshino et al., The microscopic mechanism of the metal-semiconductor transition in liquid alkali-Te mixtures - Ab initio molecular-dynamics simulations, PROG T PH S, (138), 2000, pp. 191-198
Authors:
Senda, Y
Shimojo, F
Hoshino, K
Citation: Y. Senda et al., The polyanions in liquid alkali-lead alloys - Ab initio molecular-dynamicssimulations, PROG T PH S, (138), 2000, pp. 245-246
Authors:
Shimojo, F
Campbell, TJ
Kalia, RK
Nakano, A
Vashishta, P
Ogata, S
Tsuruta, K
Citation: F. Shimojo et al., A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors, FUT GENER C, 17(3), 2000, pp. 279-291
Authors:
Shimojo, F
Ebbsjo, I
Kalia, RK
Nakano, A
Rino, JP
Vashishta, P
Citation: F. Shimojo et al., Molecular dynamics simulation of structural transformation in silicon carbide under pressure, PHYS REV L, 84(15), 2000, pp. 3338-3341
Authors:
Ogata, S
Iyetomi, H
Tsuruta, K
Shimojo, F
Nakano, A
Kalia, RK
Vashishta, P
Citation: S. Ogata et al., Role of atomic charge transfer on sintering of TiO2 nanoparticles: Variable-charge molecular dynamics, J APPL PHYS, 88(10), 2000, pp. 6011-6015
Authors:
Nakano, A
Bachlechner, ME
Branicio, P
Campbell, TJ
Ebbsjo, I
Kalia, RK
Madhukar, A
Ogata, S
Omeltchenko, A
Rino, JP
Shimojo, F
Walsh, P
Vashishta, P
Citation: A. Nakano et al., Large-scale atomistic modeling of nanoelectronic structures, IEEE DEVICE, 47(10), 2000, pp. 1804-1810
Authors:
Shimojo, F
Hoshino, K
Zempo, Y
Citation: F. Shimojo et al., Effects of spin polarization on the structural and electronic properties of supercritical fluid selenium: ab initio molecular-dynamics simulations, J PHYS-COND, 11(45), 1999, pp. 8829-8838
Authors:
Senda, Y
Shimojo, F
Hoshino, K
Citation: Y. Senda et al., Composition dependence of the structure and the electronic states of liquid K-Pb alloys: ab initio molecular-dynamics simulations, J PHYS-COND, 11(28), 1999, pp. 5387-5398
Authors:
Shimojo, F
Munejiri, S
Hoshino, K
Zempo, Y
Citation: F. Shimojo et al., The microscopic mechanism of the semiconductor-metal transition in liquid arsenic triselenide, J PHYS-COND, 11(15), 1999, pp. L153-L158
Authors:
Senda, Y
Shimojo, F
Hoshino, K
Citation: Y. Senda et al., The origin of the first sharp diffraction peak in liquid Na-Pb alloys: ab initio molecular-dynamics simulations, J PHYS-COND, 11(10), 1999, pp. 2199-2210
Authors:
Zempo, Y
Shimojo, F
Hoshino, K
Watabe, M
Citation: Y. Zempo et al., Structural and electronic properties of liquid rubidium, COMP MAT SC, 14(1-4), 1999, pp. 19-27