TY - RPRT TI - Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics AU - Yoo, Pilsun AU - Jung, Gang Seob AU - Ryder, Matthew R. AU - Vautard, Frederic AU - Cakmak, Ercan AU - Wi, Sungsool AU - Weisenberger, Matthew C. AU - Lara-Curzio, Edgar AU - Mathews, Jonathan P. AU - Irle, Stephan PY - 2024 DO - 10.1016/j.carbon.2024.118939 UR - https://www.osti.gov/biblio/2329593 ID - 2329593 ER -