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 (376件):
Ayu Irie, Anikeya Aditya, Ken-ichi Nomura, Shogo Fukushima, Shinnosuke Hattori, Rajiv K. Kalia, Aiichiro Nakano, Vadim Rodin, Fuyuki Shimojo, Shigetaka Tomiya, et al. Thermoelectric Grain Boundary in Monolayer MoS2. The Journal of Physical Chemistry C. 2024
Hinata Hokyo, Kai Ito, Rajiv K. Kalia, Rehan Kapadia, Aiichiro Nakano, Kohei Shimamura, Fuyuki Shimojo, and Priya Vashishta. Photoinduced negative differential resistance at a graphene/silicon interface: a nonadiabatic quantum molecular dynamics study. The Journal of Physical Chemistry Letters. 2024. 15. 9226-9232
Kohei Shimamura, Shinnosuke Hattori, Ken-ichi Nomura, Akihide Koura, and Fuyuki Shimojo. Thermal Conductivity Calculation using Homogeneous Non-equilibrium Molecular Dynamics Simulation with Allegro. International Journal of Heat and Mass Transfer. 2024. 234. 126106-1-126106-8
Ritika Dagar, Wenbin Zhang, Philipp Rosenberger, Thomas M. Linker , Ana Sousa-Castillo , Marcel Neuhaus, Sambit Mitra, Shubhadeep Biswas, Alexandra Feinberg, Adam M. Summers, Aiichiro Nakano, Priya Vashishta, Fuyuki Shimojo, Jian Wu, Cesar Costa Vera, Stefan A. Maier, Emiliano Cort$\acute{e}$s, Boris Bergues, Matthias F. Kling. Tracking Surface Charge Dynamics on Single Nanoparticles. Science Advances. 2024. 10. 1890-1-1890-9
K. Ito, H. Shimakura, S. Tahara, K. Ohara, K. Shimamura, A. Koura, and F. Shimojo. Intermolecular Correlations in Liquid Lactic Acid Based on ab initio Molecular Dynamics Simulations Combined with High-Energy X-ray Diffraction Measurements. Journal of the Physical Society of Japan. 2024. 93. 054601-1-54601-7
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