TY - RPRT TI - Overcoming the Chemical Complexity Bottleneck in on-the-Fly Machine Learned Molecular Dynamics Simulations AU - Timmerman, Lucas R. AU - Kumar, Shashikant AU - Suryanarayana, Phanish AU - Medford, Andrew J. PY - 2024 DO - 10.1021/acs.jctc.4c00474 UR - https://www.osti.gov/biblio/2396017 ID - 2396017 ER -