Eliseo Marin‐Rimoldi
University of Notre Dame(US)Molecular Sciences Software Institute(US)
Publications by Year
Research Areas
Phase Equilibria and Thermodynamics, Ionic liquids properties and applications, Machine Learning in Materials Science, Advanced Chemical Physics Studies, Electrochemical Analysis and Applications
Most-Cited Works
- → Cassandra: An open source Monte Carlo package for molecular simulation(2017)167 cited
- → Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science(2018)102 cited
- → Monte Carlo simulations of water solubility in ionic liquids: A force field assessment(2015)37 cited
- → 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(trifluoromethanesulfonyl)amide ([Cnmim+][Tf2N–], n = 4, 6)(2014)25 cited
- → The MolSSI Driver Interface Project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codes(2020)19 cited
- → Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants(2023)18 cited
- → Discrete Fractional Component Monte Carlo Simulation Study of Dilute Nonionic Surfactants at the Air–Water Interface(2017)12 cited
- → Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF)(2025)11 cited
- → Assessment and Ranking of Difluoromethane (R32) and Pentafluoroethane (R125) Interatomic Potentials Using Several Thermophysical and Transport Properties Across Multiple State Points(2023)9 cited
- → Understanding Solute-Hydrotrope Aggregation in Aqueous Solutions: A Molecular Dynamics Approach(2025)4 cited