Kohei Shimamura

A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations

Fuyuki Shimojo, Shinnosuke Hattori, Rajiv K. Kalia et al. · The Journal of Chemical Physics · 2014 · 69 citations

Natural Sciences, High-performance Computing, Physics +16

Ab initio molecular dynamics simulation of dissociation of methane on nickel(1 1 1) surface: Unravelling initial stage of graphene growth via a CVD technique

Yasushi Shibuta, Rizal Arifin, Kohei Shimamura et al. · Chemical Physics Letters · 2013 · 63 citations

Natural Sciences, Chemistry, Physics +17

QXMD: An open-source program for nonadiabatic quantum molecular dynamics

Fuyuki Shimojo, Shogo Fukushima, Hiroyuki Kumazoe et al. · SoftwareX · 2019 · 57 citations · Full text

Natural Sciences, High-performance Computing, Physics +16

Dielectric Constant of Liquid Water Determined with Neural Network Quantum Molecular Dynamics

Aravind Krishnamoorthy, Ken‐ichi Nomura, Nitish Baradwaj et al. · Physical Review Letters · 2021 · 53 citations

Natural Sciences, Chemistry, Physics +17

The nature of free-carrier transport in organometal halide perovskites

Tomoya Hakamata, Kohei Shimamura, Fuyuki Shimojo et al. · Scientific Reports · 2016 · 51 citations · Full text

Natural Sciences, Materials Science, Physics +17