| Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes MG Martin, JI Siepmann The Journal of Physical Chemistry B 102 (14), 2569-2577, 1998 | 2372 | 1998 |
| Novel configurational-bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United-atom description of branched alkanes MG Martin, JI Siepmann The Journal of Physical Chemistry B 103 (21), 4508-4517, 1999 | 858 | 1999 |
| Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and alkylbenzenes CD Wick, MG Martin, JI Siepmann The Journal of Physical Chemistry B 104 (33), 8008-8016, 2000 | 545 | 2000 |
| Improving the efficiency of the configurational-bias Monte Carlo algorithm TJH Vlugt, MG Martin, B Smit, JI Siepmann, R Krishna Molecular physics 94 (4), 727-733, 1998 | 275 | 1998 |
| MCCCS Towhee: a tool for Monte Carlo molecular simulation MG Martin Molecular Simulation 39 (14-15), 1212-1222, 2013 | 218 | 2013 |
| Electronic structure of intrinsic defects in crystalline germanium telluride AH Edwards, AC Pineda, PA Schultz, MG Martin, AP Thompson, ... Physical Review B 73 (4), 045210, 2006 | 204 | 2006 |
| Predicting multicomponent phase equilibria and free energies of transfer for alkanes by molecular simulation MG Martin, JI Siepmann Journal of the American Chemical Society 119 (38), 8921-8924, 1997 | 192 | 1997 |
| Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane BJ ILJA SIEPMANN, MG Martin Molecular Physics 90 (5), 687-694, 1997 | 146 | 1997 |
| Comparison of the AMBER, CHARMM, COMPASS, GROMOS, OPLS, TraPPE and UFF force fields for prediction of vapor–liquid coexistence curves and liquid densities MG Martin Fluid phase equilibria 248 (1), 50-55, 2006 | 131 | 2006 |
| Thermodynamic properties of the williams, opls-aa, and mmff94 all-atom force fields for normal alkanes B Chen, MG Martin, JI Siepmann The Journal of Physical Chemistry B 102 (14), 2578-2586, 1998 | 98 | 1998 |
| Calculating Gibbs free energies of transfer from Gibbs ensemble Monte Carlo simulations MG Martin, JI Siepmann Theoretical Chemistry Accounts 99 (5), 347-350, 1998 | 83 | 1998 |
| Effect of pressure, membrane thickness, and placement of control volumes on the flux of methane through thin silicalite membranes: A dual control volume grand canonical … MG Martin, AP Thompson, TM Nenoff The Journal of Chemical Physics 114 (16), 7174-7181, 2001 | 81 | 2001 |
| Using arbitrary trial distributions to improve intramolecular sampling in configurational-bias Monte Carlo MG Martin, AL Frischknecht Molecular Physics 104 (15), 2439-2456, 2006 | 71 | 2006 |
| Industrial property prediction using Towhee and LAMMPS MG Martin, AP Thompson Fluid phase equilibria 217 (1), 105-110, 2004 | 65 | 2004 |
| Theory of persistent, p-type, metallic conduction in c-GeTe AH Edwards, AC Pineda, PA Schultz, MG Martin, AP Thompson, ... Journal of Physics: Condensed Matter 17 (32), L329, 2005 | 58 | 2005 |
| A novel Monte Carlo algorithm for polarizable force fields: Application to a fluctuating charge model for water MG Martin, B Chen, JI Siepmann The Journal of chemical physics 108 (9), 3383-3385, 1998 | 52 | 1998 |
| Monte Carlo molecular simulation predictions for the heat of vaporization of acetone and butyramide MG Martin, MJ Biddy Fluid phase equilibria 236 (1-2), 53-57, 2005 | 43 | 2005 |
| Studies of the thermodynamic properties of hydrogen gas in bulk water D Sabo, S Varma, MG Martin, SB Rempe The Journal of Physical Chemistry B 112 (3), 867-876, 2008 | 42 | 2008 |
| Vapor–liquid phase equilibria of triacontane isomers: Deviations from the principle of corresponding states ND Zhuravlev, MG Martin, JI Siepmann Fluid phase equilibria 202 (2), 307-324, 2002 | 40 | 2002 |
| Dynamics of exchange at gas-zeolite interfaces I: Pure component n-butane and isobutane M Chandross, EB Webb, GS Grest, MG Martin, AP Thompson, MW Roth The Journal of Physical Chemistry B 105 (24), 5700-5712, 2001 | 37 | 2001 |
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaVerified email at umn.edu
