DOE OSTI · 3023904
Quantum-accurate large-scale molecular dynamics and Monte Carlo simulation of materials with LAMMPS and FitSNAP
Abstract
Review of several topics in atomistic materials simulation, including LAMMPS, FitSNAP, shockwave structure, and the Cerebras WSE device
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Thompson, Aidan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000203249114). 2025-03-01. Quantum-accurate large-scale molecular dynamics and Monte Carlo simulation of materials with LAMMPS and FitSNAP. https://doi.org/10.2172/3023904
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