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Updated: Aug 7, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

Free volume hypothetical scanning molecular dynamics method for the absolute free energy of liquids

Ronald P White1, Hagai Meirovitch

  • 1Department of Computational Biology, University of Pittsburgh School of Medicine, 3064 BST3, Pittsburgh, Pennsylvania 15260, USA.

The Journal of Chemical Physics
|June 16, 2006
PubMed

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