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Updated: Aug 18, 2026

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

Quantum simulation of the heat capacity of water

Wataru Shinoda1, Motoyuki Shiga

  • 1Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1, Umezono, Tsukuba, Ibaraki 305-8568, Japan. w.shinoda@aist.go.jp

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|May 21, 2005
PubMed

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