1999 - Research and development of ab initio molecular-dynamics method
1997 - 1998 液体カルコゲンにおける非金属・金属転移の第一原理シミュレーション
1998 - 液体金属・半導体の構造と電子状態の理論的研究
1998 - Theoretical study on the structural and electronic properties of liquid metals and liquid semiconductors
1997 - 1997 第一原理分子動力学法によるセリア系酸化物中のプロトン伝導機構の研究
1996 - 1996 液体セレンにおける非金属・金属転移の第一原理シミュレーション
1996 - 1996 第一原理分子動力学法によるペロブスカイト型酸化物中のプロトン伝導機構の研究
1995 - 1995 固体内高速イオン移動現象とその電子状態の第一原理シミュレーション
全件表示
論文 (371件):
S. Hosokawa, H. Sato, Y. Tezuka, J. Adachi, K. Kimura, K. Hayashi, S, Kohara, H. Tajiri, K. Kobayashi, A. Koura, and F. Shimojo. Atomic and electronic structures on a Mordenite zeolite. e-Journal of Surface Science and Nanotechnology. 2023. 22. 25-31
E. B. Yutomo, F. A. Noor, T. Winata, K. Shimamura, A. Koura, and F. Shimojo. Ab initio Molecular Dynamics of the Initial Growth of Few-Layer Graphene on a Cu-Ni(111) Catalyst. The Journal of Physical Chemistry C. 2023. 127. 19258-19268
A. Mishra, P. Rajak, A. Irie, S. Fukushima, R. Kalia, A. Nakano, K. Nomura, F. Shimojo, and P. Vashishta. High-throughput computation and machine learning of refractive index of polymers. Applied Physics Letters. 2023. 123. 121901-1-121901-5
K. Shimamura, A. Koura, and F. Shimojo. Construction of Machine-Learning Interatomic Potential Under Heat Flux Regularization and Its Application to Power Spectrum Analysis for Silver Chalcogenides. Computer Physics Communications. 2023. 294. 108920-1-108920-11
T. Linker, K. Nomura, S. Fukushima, R. K. Kalia, A. Krishnamoorthy, A. Nakano, K. Shimamura, F. Shimojo, and P. Vashishta. Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO$_3$ with Neural Network Quantum Molecular Dynamics. Nano Letters. 2023. 23. 7456-7462
Large Spatiotemporal-scale Material Simulations on Petaflops Computers
Multiscale Simulation Methods in Molecular Sciences}, edited by J. Grotendorst, N. Attig, S. Blugel, and D. Marx (John von Neumann Institut furComputing, Julich, Germany) 2009
Atomic Dynamics in Superionic Conductors by ab initio Molecular-Dynamics Simulations
Physics of Solid State Ionics, edited by T. Sakuma & H. Takahashi (Research Signpost, Kerala) 2006
Virtualization-Aware Application Framework for Hierarchical Multiscale Simulations on a Grid
COMPUTATIONAL METHODS IN LARGE SCALE SIMULATION, edited by Khin-Yong Lam & Heow-Pueh Lee (World Scientific, Singapore) 2005