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Updated: Jun 20, 2026

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

Published on: April 12, 2019

The ReaxFF Monte Carlo reactive dynamics method for predicting atomistic structures of disordered ceramics:

Kimberly Chenoweth1, Adri C T van Duin, William A Goddard

  • 1Department of Chemistry, Smith College, Northampton, MA 01063, USA.

Angewandte Chemie (International Ed. in English)
|September 10, 2009
PubMed
Abstract

No abstract available in PubMed .

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