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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Published on: September 17, 2021

A homogeneous nonequilibrium molecular dynamics method for calculating the heat transport coefficient of mixtures and

Kranthi K Mandadapu1, Reese E Jones, Panayiotis Papadopoulos

  • 1Department of Mechanical Engineering, University of California, Berkeley, California 94720-1740, USA.

The Journal of Chemical Physics
|July 24, 2010
PubMed

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