| On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures JR Espinosa, JM Young, H Jiang, D Gupta, C Vega, E Sanz, ... The Journal of chemical physics 145 (15), 2016 | 100 | 2016 |
| System-size dependence of electrolyte activity coefficients in molecular simulations JM Young, AZ Panagiotopoulos The Journal of Physical Chemistry B 122 (13), 3330-3338, 2018 | 23 | 2018 |
| Genetic algorithm driven force field parameterization for molten alkali-metal carbonate and hydroxide salts A Mondal, JM Young, TA Barckholtz, G Kiss, L Koziol, ... Journal of Chemical Theory and Computation 16 (9), 5736-5746, 2020 | 18 | 2020 |
| Activity Coefficients and Solubility of CaCl2 from Molecular Simulations JM Young, C Tietz, AZ Panagiotopoulos Journal of Chemical & Engineering Data 65 (2), 337-348, 2019 | 15 | 2019 |
| Molecular simulation of liquid–vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models D Kussainova, A Mondal, JM Young, S Yue, AZ Panagiotopoulos The Journal of Chemical Physics 153 (2), 2020 | 13 | 2020 |
| Predicting chemical reaction equilibria in molten carbonate fuel cells via molecular simulations JM Young, A Mondal, TA Barckholtz, G Kiss, L Koziol, ... AIChE Journal 67 (3), e16988, 2021 | 12 | 2021 |
| Entropy scaling of viscosity for molecular models of molten salts JM Young, IH Bell, AH Harvey The Journal of Chemical Physics 158 (2), 2023 | 6 | 2023 |
| Transport and interfacial properties of mixed molten carbonate/hydroxide electrolytes by molecular dynamics simulations A Mondal, JM Young, TA Barckholtz, G Kiss, L Koziol, ... The Journal of Physical Chemistry C 124 (43), 23532-23540, 2020 | 6 | 2020 |
| First-Principles Modeling of Transport Mechanisms in Carbonate–Hydroxide Electrolytes A Mondal, JM Young, G Kiss, AZ Panagiotopoulos The Journal of Physical Chemistry C 125 (8), 4412-4422, 2021 | 3 | 2021 |
| Thermodynamic and transport properties of electrolyte solutions and melts from molecular simulations JM Young Princeton University, 2020 | | 2020 |
| Computing Chemical Reaction Equilibria in Molten Salts from Molecular Simulations: Composition of Molten Carbonate Electrolytes in Contact with Gaseous Species L Koziol, G Kiss, T Barckholtz, J Young, A Mondal, A Panagiotopoulos 2019 AIChE Annual Meeting, 2019 | | 2019 |
| Computing chemical reaction equilibria in molten salts: Composition of molten carbonate electrolytes in contact with gaseous species A Mondal, L Koziol, G Kiss, T Barckholtz, J Young, A Panagiotopoulos ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Developing new force fields for molten salts: Toward understanding electrolyte chemistry in the molten carbonate fuel cell L Koziol, G Kiss, T Barckholtz, J Young, A Mondal, A Panagiotopoulos ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| 1 Binary Lennard-Jones Mixture JR Espinosa, JM Young, H Jiang, D Gupta, C Vega, E Sanz, ... | | 2016 |
