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Updated: Dec 10, 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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Monte Carlo simulation of cylinders with short-range attractions

Harold W Hatch1, Nathan A Mahynski1, Ryan P Murphy2

  • 1Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, USA.

AIP Advances
|August 29, 2020
PubMed
Abstract

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