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Updated: Nov 17, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
E P Alves1, W B Mori2, F Fiuza1
1High Energy Density Science Division, SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA.
Coupling particle-in-cell (PIC) and Monte Carlo (MC) collision algorithms can cause nonphysical plasma heating. This numerical heating arises from an inconsistency between MC particle motion and PIC electromagnetic fields, impacting long simulations.
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