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Updated: May 16, 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

Incorporating configurational-bias Monte Carlo into the Wang-Landau algorithm for continuous molecular systems

Katie A Maerzke1, Lili Gai, Peter T Cummings

  • 1Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA.

The Journal of Chemical Physics
|December 5, 2012
PubMed

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