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Updated: Apr 21, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Paho Lurie-Gregg1, Jeff B Schulte1, David Roundy1
1Department of Physics, Oregon State University, Corvallis, Oregon 97331, USA.
We developed a faster approximation for the hard sphere fluid pair distribution function. This method accurately predicts fluid behavior in varying densities, offering computational efficiency for complex simulations.
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