| Cassandra: An open source Monte Carlo package for molecular simulation JK Shah, E Marin‐Rimoldi, RG Mullen, BP Keene, S Khan, AS Paluch, ... Journal of computational chemistry 38 (19), 1727-1739, 2017 | 163 | 2017 |
| Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science A Krylov, TL Windus, T Barnes, E Marin-Rimoldi, JA Nash, B Pritchard, ... The Journal of chemical physics 149 (18), 2018 | 93 | 2018 |
| Monte Carlo simulations of water solubility in ionic liquids: a force field assessment E Marin-Rimoldi, JK Shah, EJ Maginn Fluid Phase Equilibria 407, 117-125, 2016 | 35 | 2016 |
| A Monte Carlo Simulation Study To Predict the Solubility of Carbon Dioxide, Hydrogen, and Their Mixture in the Ionic Liquids 1-Alkyl-3-methylimidazolium bis … R Singh, E Marin-Rimoldi, EJ Maginn Industrial & Engineering Chemistry Research 54 (16), 4385-4395, 2015 | 26 | 2015 |
| The MolSSI driver interface project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codes TA Barnes, E Marin-Rimoldi, S Ellis, TD Crawford Computer Physics Communications 261, 107688, 2021 | 19 | 2021 |
| Discrete fractional component Monte Carlo simulation study of dilute nonionic surfactants at the air–water interface B Yoo, E Marin-Rimoldi, RG Mullen, A Jusufi, EJ Maginn Langmuir 33 (38), 9793-9802, 2017 | 15 | 2017 |
| Machine learning-enabled development of accurate force fields for refrigerants N Wang, MN Carlozo, E Marin-Rimoldi, BJ Befort, AW Dowling, ... Journal of Chemical Theory and Computation 19 (14), 4546-4558, 2023 | 9 | 2023 |
| Assessment and Ranking of Difluoromethane (R32) and Pentafluoroethane (R125) Interatomic Potentials Using Several Thermophysical and Transport Properties Across Multiple State … B Agbodekhe, E Marin-Rimoldi, Y Zhang, AW Dowling, EJ Maginn Journal of Chemical & Engineering Data 69 (2), 427-444, 2023 | 3 | 2023 |
| Monte Carlo simulations for phase equilibria and software development E Marin-Rimoldi University of Notre Dame, 2017 | 1 | 2017 |
| Adsorption of difluoromethane (HFC-32) and pentafluoroethane (HFC-125) and their mixtures in silicalite-1: An experimental and Monte Carlo simulation study E Marin-Rimoldi, AD Yancey, MB Shiflett, EJ Maginn The Journal of Chemical Physics 161 (7), 2024 | | 2024 |
| Molecular Modeling of the Thermodynamic and Transport Properties of Ionic Liquid-Water Mixtures E Marin-Rimoldi, Y Zhang, EJ Maginn Encyclopedia of Ionic Liquids, 925-930, 2023 | | 2023 |
| Computational Chemistry Software and Its Advancement as Illustrated through Three Grand Challenge Cases for Molecular Science A Krylov, TL Windus, T Barnes, E Marin-Rimoldi, JA Nash, B Pritchard, ... | | |
