Kohei Shimamura

Publication Activity (10 Years)

Years Active: 2014-2024
Publications (10 Years): 4

Top Topics

Production Processes

Protein Folding

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

IPDPS Workshops

Publications

Kohei Shimamura, Akihide Koura, Fuyuki Shimojo
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides. Comput. Phys. Commun. 294 (2024)
Pankaj Rajak, Anikeya Aditya, Shogo Fukushima, Rajiv K. Kalia, Thomas Linker, Kuang Liu, Ye Luo, Aiichiro Nakano, Ken-ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya Vashishta
Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics. IPDPS Workshops (2021)
Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe, Masaaki Misawa, Satoshi Ohmura, Pankaj Rajak, Kohei Shimamura, Lindsay Bassman, Subodh Tiwari, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
QXMD: An open-source program for nonadiabatic quantum molecular dynamics. SoftwareX 10 (2019)
Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, Shigenori Tanaka
Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean. J. Comput. Chem. 40 (2) (2019)
Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Kohei Shimamura, Fuyuki Shimojo, Manaschai Kunaseth, Paul C. Messina, Nichols A. Romero
Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand. SC (2014)