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

Published on: April 12, 2019

An internally consistent method for the molecular dynamics simulation of the surface tension: application to some

Raymond D Mountain1

  • 1Chemical and Biochemical Reference Data Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8320, USA. raymond.mountain@nist.gov

The Journal of Physical Chemistry. B
|December 18, 2008
PubMed

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