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Updated: Aug 1, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Molecular modelling of the thermophysical properties of fluids: expectations, limitations, gaps and opportunities

Marcus J Tillotson1, Nikolaos I Diamantonis2, Corneliu Buda3

  • 1Department of Chemical Engineering, Imperial College London, London, UK. e.muller@imperial.ac.uk.

Physical Chemistry Chemical Physics : PCCP
|April 28, 2023
PubMed

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