TY - RPRT TI - Benchmarking the performance of uncertainty quantification methods for neural network-based interatomic potentials AU - Wimer, Nicholas T. [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] AU - Mueller, Juliane [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] AU - Hamel, Sebastien [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] AU - Lordi, Vincenzo [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] PY - 2026 DO - 10.1186/s13321-026-01193-7 UR - https://www.osti.gov/biblio/3030039 ID - 3030039 ER -