TY - RPRT TI - Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials AU - Wilson, Woodrow N. [Mississippi State University, MS (United States); The University of Alabama, Tuscaloosa, AL (United States)] AU - Bharadwaj, Vivek S. [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000158519807) AU - Rai, Neeraj [Mississippi State University, MS (United States)] (ORCID:0000000200589623) PY - 2025 DO - 10.1021/acs.jctc.5c01148 UR - https://www.osti.gov/biblio/3004686 ID - 3004686 ER -