TY  - RPRT
TI  - gRASPA
AU  - Li, Zhao [Purdue/Northwestern/Notre Dame University]
AU  - Shi, Kaihang [Northwestern Univ., Evanston, IL (United States); University at Buffalo, SUNY]
AU  - Dubbeldam, David [University of Amsterdam]
AU  - Dewing, Mark [Argonne National Laboratory (ANL), Argonne, IL (United States)]
AU  - Knight, Christopher [Argonne National Laboratory (ANL), Argonne, IL (United States)]
AU  - Vazquez Mayagoitia, Alvaro [Argonne National Laboratory (ANL), Argonne, IL (United States)]
AU  - Snurr, RandallQ. [Northwestern Univ., Evanston, IL (United States)]
PY  - 2025
DO  - 10.1021/acs.jctc.4c01058
UR  - https://www.osti.gov/biblio/code-172693
ID  - code-172693
ER  -