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Updated: Aug 27, 2025

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

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Multilevel simulation of hard-sphere mixtures

Paul B Rohrbach1, Hideki Kobayashi2, Robert Scheichl3

  • 1Department of Applied Mathematics and Theoretical Physics, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA, United Kingdom.

The Journal of Chemical Physics
|October 1, 2022
PubMed

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