ALLOY EXPRESS: A General and Scalable parallel Hybrid Monte Carlo and Molecular Dynamics Algorithm for Alloy Simulations

Zichi, Laura Rose [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000338973097); Thompson, Aidan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000203249114); McCarthy, Megan Jeanne [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000343884953)

doi:10.2172/3414031

DOE OSTI · 3414031

ALLOY EXPRESS: A General and Scalable parallel Hybrid Monte Carlo and Molecular Dynamics Algorithm for Alloy Simulations

Zichi, Laura Rose [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000338973097)·Thompson, Aidan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000203249114)·McCarthy, Megan Jeanne [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000343884953)

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Zichi, Laura Rose [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000338973097), Thompson, Aidan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000203249114), McCarthy, Megan Jeanne [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000343884953). 2025-08-01. ALLOY EXPRESS: A General and Scalable parallel Hybrid Monte Carlo and Molecular Dynamics Algorithm for Alloy Simulations. https://doi.org/10.2172/3414031

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