| Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen JJ Potoff, JI Siepmann AIChE journal 47 (7), 1676-1682, 2001 | 2126 | 2001 |
| Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary, and … B Chen, JJ Potoff, JI Siepmann The Journal of Physical Chemistry B 105 (15), 3093-3104, 2001 | 971 | 2001 |
| Transferable potentials for phase equilibria. 6. United-atom description for ethers, glycols, ketones, and aldehydes JM Stubbs, JJ Potoff, JI Siepmann The Journal of Physical Chemistry B 108 (45), 17596-17605, 2004 | 540 | 2004 |
| Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture JJ Potoff, AZ Panagiotopoulos The Journal of chemical physics 109 (24), 10914-10920, 1998 | 430 | 1998 |
| Molecular simulation of phase equilibria for mixtures of polar and non-polar components JJ Potoff, JR Errington, AZ Panagiotopoulos Molecular Physics 97 (10), 1073-1083, 1999 | 193 | 1999 |
| Surface tension of the three-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations JJ Potoff, AZ Panagiotopoulos The Journal of Chemical Physics 112 (14), 6411-6415, 2000 | 188 | 2000 |
| Mie potentials for phase equilibria calculations: Application to alkanes and perfluoroalkanes JJ Potoff, DA Bernard-Brunel The Journal of Physical Chemistry B 113 (44), 14725-14731, 2009 | 156 | 2009 |
| Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene N Lubna, G Kamath, JJ Potoff, N Rai, JI Siepmann The Journal of Physical Chemistry B 109 (50), 24100-24107, 2005 | 155 | 2005 |
| An improved force field for the prediction of the vapor− liquid equilibria for carboxylic acids G Kamath, F Cao, JJ Potoff The Journal of Physical Chemistry B 108 (37), 14130-14136, 2004 | 119 | 2004 |
| Molecular modeling of phase behavior and microstructure of acetone− chloroform− methanol binary mixtures G Kamath, G Georgiev, JJ Potoff The Journal of Physical Chemistry B 109 (41), 19463-19473, 2005 | 97 | 2005 |
| Effect of partial charge parametrization on the fluid phase behavior of hydrogen sulfide G Kamath, N Lubna, JJ Potoff The Journal of chemical physics 123 (12), 2005 | 96 | 2005 |
| Development of an optimized intermolecular potential for sulfur dioxide MBH Ketko, G Kamath, JJ Potoff The Journal of Physical Chemistry B 115 (17), 4949-4954, 2011 | 92 | 2011 |
| Adiabatic nuclear and electronic sampling Monte Carlo simulations in the Gibbs ensemble: Application to polarizable force fields for water B Chen, JJ Potoff, JI Siepmann The Journal of Physical Chemistry B 104 (10), 2378-2390, 2000 | 88 | 2000 |
| Application of TraPPE-UA force field for determination of vapor–liquid equilibria of carboxylate esters G Kamath, J Robinson, JJ Potoff Fluid phase equilibria 240 (1), 46-55, 2006 | 73 | 2006 |
| Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes JR Mick, M Soroush Barhaghi, B Jackman, K Rushaidat, L Schwiebert, ... The Journal of chemical physics 143 (11), 2015 | 71 | 2015 |
| Direct calculation of 1-octanol–water partition coefficients from adaptive biasing force molecular dynamics simulations N Bhatnagar, G Kamath, I Chelst, JJ Potoff The Journal of chemical physics 137 (1), 2012 | 67 | 2012 |
| GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids Y Nejahi, MS Barhaghi, J Mick, B Jackman, K Rushaidat, Y Li, ... SoftwareX 9, 20-27, 2019 | 58 | 2019 |
| All-Atom Force Field for the Prediction of Vapor− Liquid Equilibria and Interfacial Properties of HFA134a RPS Peguin, G Kamath, JJ Potoff, SRP da Rocha The Journal of Physical Chemistry B 113 (1), 178-187, 2009 | 55 | 2009 |
| Monte Carlo calculations for the phase equilibria of alkanes, alcohols, water, and their mixtures JM Stubbs, B Chen, JJ Potoff, JI Siepmann Fluid phase equilibria 183, 301-309, 2001 | 53 | 2001 |
| Extension of the transferable potentials for phase equilibria force field to dimethylmethyl phosphonate, sarin, and soman N Sokkalingam, G Kamath, M Coscione, JJ Potoff The Journal of Physical Chemistry B 113 (30), 10292-10297, 2009 | 51 | 2009 |
