Marcus G. Martin
Marcus G. Martin
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Cited by
Cited by
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
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
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
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
MCCCS Towhee: a tool for Monte Carlo molecular simulation
MG Martin
Molecular Simulation 39 (14-15), 1212-1222, 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
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
Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane
Molecular Physics 90 (5), 687-694, 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
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
Calculating Gibbs free energies of transfer from Gibbs ensemble Monte Carlo simulations
MG Martin, JI Siepmann
Theoretical Chemistry Accounts 99 (5), 347-350, 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
Using arbitrary trial distributions to improve intramolecular sampling in configurational-bias Monte Carlo
MG Martin, AL Frischknecht
Molecular Physics 104 (15), 2439-2456, 2006
Industrial property prediction using Towhee and LAMMPS
MG Martin, AP Thompson
Fluid phase equilibria 217 (1), 105-110, 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
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
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
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
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
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
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