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

Published in AICHE JOURNAL, 2021

Recommended citation: Cummings, Peter T. McCabe, Clare Iacovella, Christopher R. Ledeczi, Akos Jankowski, Eric Jayaraman, Arthi Palmer, Jeremy C. Maginn, Edward J. Glotzer, Sharon C. Anderson, Joshua A. Ilja Siepmann, J. Potoff, Jeffrey Matsumoto, Ray A. Gilmer, Justin B. DeFever, Ryan S. Singh, Ramanish Crawford, Brad (2021). "Open-source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework ." AICHE JOURNAL. 67 (e17206).

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Cummings, Peter T. McCabe, Clare Iacovella, Christopher R. Ledeczi, Akos Jankowski, Eric Jayaraman, Arthi Palmer, Jeremy C. Maginn, Edward J. Glotzer, Sharon C. Anderson, Joshua A. Ilja Siepmann, J. Potoff, Jeffrey Matsumoto, Ray A. Gilmer, Justin B. DeFever, Ryan S. Singh, Ramanish Crawford, Brad (2021). “Open-source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework .” AICHE JOURNAL. 67 (e17206), pp .

DOI: 10.1002/aic.17206

Funding source: National Science Foundation [OAC-1835874, OAC-1835612, OAC-1835630, OAC-1835067, OAC-1835613, OAC-1835593, OAC-1835713, OAC-1835560]