Open-source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework

Peter T. Cummings, Clare McCabe, Christopher R. Iacovella, Akos Ledeczi, Eric Jankowski, Arthi Jayaraman, Jeremy C. Palmer, Edward J. Maginn, Sharon C. Glotzer, Joshua A. Anderson, J. Ilja Siepmann, Jeffrey Potoff, Ray A. Matsumoto, Justin B. Gilmer, Ryan S. DeFever, Ramanish Singh, Brad Crawford

Research output: Contribution to journalArticlepeer-review

6 Scopus citations
Original languageEnglish (US)
Article numbere17206
JournalAIChE Journal
Issue number3
StatePublished - Mar 2021

Bibliographical note

Funding Information:
The preparation of this Perspective article has been supported by a National Science Foundation grants OAC‐1835874 to Vanderbilt University, OAC‐1835612 to the University of Michigan, OAC‐1835630 to the University of Notre Dame, OAC‐1835067 to the University of Minnesota, OAC‐1835613 to the University of Delaware, OAC‐1835593 to Boise State University, OAC‐1835713 to Wayne State University, and OAC‐1835560 to the University of Houston.


  • adsorption/gas
  • computer simulations (MC and MD)
  • simulation, molecular
  • thermodynamics/statistical

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