@misc{indiciae8a9a362d4d8c,
  title = {gRASPA},
  author = {Li, Zhao [Purdue/Northwestern/Notre Dame University] and Shi, Kaihang [Northwestern Univ., Evanston, IL (United States); University at Buffalo, SUNY] and Dubbeldam, David [University of Amsterdam] and Dewing, Mark [Argonne National Laboratory (ANL), Argonne, IL (United States)] and Knight, Christopher [Argonne National Laboratory (ANL), Argonne, IL (United States)] and Vazquez Mayagoitia, Alvaro [Argonne National Laboratory (ANL), Argonne, IL (United States)] and Snurr, RandallQ. [Northwestern Univ., Evanston, IL (United States)]},
  year = {2025},
  doi = {10.1021/acs.jctc.4c01058},
  url = {https://www.osti.gov/biblio/code-172693},
  note = {Source identifier: code-172693}
}