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Creators/Authors contains: "Marin-Rimoldi, Eliseo"

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Assessment and Ranking of Difluoromethane (R32) and Pentafluoroethane (R125) Interatomic Potentials Using Several Thermophysical and Transport Properties Across Multiple State Points

https://doi.org/10.1021/acs.jced.3c00379

Agbodekhe, Barnabas ; Marin-Rimoldi, Eliseo ; Zhang, Yong ; Dowling, Alexander W. ; Maginn, Edward J. ( September 2023 , Journal of Chemical & Engineering Data)

Free, publicly-accessible full text available September 19, 2024
Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants

https://doi.org/10.1021/acs.jctc.3c00338

Wang, Ning ; Carlozo, Montana N. ; Marin-Rimoldi, Eliseo ; Befort, Bridgette J. ; Dowling, Alexander W. ; Maginn, Edward J. ( July 2023 , Journal of Chemical Theory and Computation)

Full Text Available
Cassandra: An open source Monte Carlo package for molecular simulation

https://doi.org/10.1002/jcc.24807

Shah, Jindal K. ; Marin-Rimoldi, Eliseo ; Mullen, Ryan Gotchy ; Keene, Brian P. ; Khan, Sandip ; Paluch, Andrew S. ; Rai, Neeraj ; Romanielo, Lucienne L. ; Rosch, Thomas W. ; Yoo, Brian ; et al ( July 2017 , Journal of Computational Chemistry)

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