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Updated: May 24, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Frozen-Core Analytical Gradients within the Adiabatic Connection Random-Phase Approximation from an Extended

Jefferson E Bates1, Henk Eshuis2

  • 1Department of Chemistry and Fermentation Sciences, Appalachian State University, Boone, North Carolina 28608-2021, United States.

Journal of Chemical Theory and Computation
|March 6, 2025
PubMed

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