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Updated: May 10, 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

A systematic development of a polarizable potential of water

Péter T Kiss1, András Baranyai

  • 1Institute of Chemistry, Eötvös University, P.O. Box 32, 1518 Budapest 112, Hungary.

The Journal of Chemical Physics
|June 8, 2013
PubMed

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