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List of works by Kohei Shimamura

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

scientific article published in May 2014

Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision.

scientific article published on 25 April 2016

Bonding and structure of ceramic-ceramic interfaces

scientific article published on 08 August 2013

Computational and training requirements for interatomic potential based on artificial neural network for estimating low thermal conductivity of silver chalcogenides

scientific article published on 01 December 2020

Dissociation dynamics of ethylene molecules on a Ni cluster using ab initio molecular dynamics simulations

scientific article published on 08 March 2016

Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-Ag2Se

scientific article published on 01 September 2019

Hydrogen Bond Preserving Stress Release Mechanism Is Key to the Resilience of Aramid Fibers

scientific article published on 01 November 2019

Hydrogen-on-demand using metallic alloy nanoparticles in water.

scientific article published on 26 June 2014

Meteorite impacts on ancient oceans opened up multiple NH3 production pathways

scientific article published on 24 April 2017

Nanocarbon synthesis by high-temperature oxidation of nanoparticles

scientific article

Optically Induced Three-Stage Picosecond Amorphization in Low-Temperature SrTiO3

scientific article published on 30 October 2020

Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study.

scientific article

Temperature relaxation in binary hard-sphere mixture system: Molecular dynamics and kinetic theory study

scientific article published on 01 July 2020

The nature of free-carrier transport in organometal halide perovskites

scientific article

Thermal conductivity calculation based on Green–Kubo formula using ANN potential for β-Ag2Se

scientific article published in 2022

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