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Updated: Jun 10, 2025

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

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QCManyBody: A flexible implementation of the many-body expansion

Lori A Burns1, C David Sherrill1, Benjamin P Pritchard2

  • 1Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.

The Journal of Chemical Physics
|October 15, 2024
PubMed

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