TY - RPRT TI - Probing Accuracy-Speedup Tradeoff in Machine Learning Surrogates for Molecular Dynamics Simulations AU - Sun, Fanbo AU - Kadupitiya, JCS AU - Jadhao, Vikram PY - 2023 DO - 10.1021/acs.jctc.2c01282 UR - https://www.osti.gov/biblio/3000914 ID - 3000914 ER -