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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)
Original languageEnglish
Article numbere17206
JournalAIChE Journal
Volume67
Issue number3
DOIs
Publication statusPublished - Mar 2021

Keywords

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

ASJC Scopus subject areas

  • Biotechnology
  • Environmental Engineering
  • Chemical Engineering(all)

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