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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Extended study of molecular dynamics simulation of homogeneous vapor-liquid nucleation of water

Hiroki Matsubara1, Takahiro Koishi, Toshikazu Ebisuzaki

  • 1Computational Astrophysics Laboratory, RIKEN, Wako 351-0198, Japan. matsubara@riken.jp

The Journal of Chemical Physics
|December 11, 2007
PubMed

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