TY - RPRT TI - A methodology to generate crystal-based molecular structures for atomistic simulations AU - Negre, Christian F. A. AU - Alvarado, Andrew AU - Singh, Himanshu (ORCID:000000028437686X) AU - Finkelstein, Joshua AU - Martinez, Enrique AU - Perriot, Romain PY - 2023 DO - 10.1088/1361-648x/acc294 UR - https://www.osti.gov/biblio/1963329 ID - 1963329 ER -