Marcus G. Martin

Martinez VA Medical Center — United States

Engineering · Physical Sciences

25h-index6.6kcitations43works0.02yr avg
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Research Topics

Phase Equilibria and Thermodynamics(25), Chemical Thermodynamics and Molecular Structure(17), Advanced Chemical Physics Studies(10), Thermodynamic properties of mixtures(7), Spectroscopy and Quantum Chemical Studies(6)

Publications43 total

MCCCS Towhee: a tool for Monte Carlo molecular simulation
Molecular Simulation·2013· 344 cited
Technologies for Developing Predictive Atomistic and Coarse-Grained Force Fields for Ionic Liquid Property Prediction
2008
Simulation of the Adsorption of Nucleotide Monophosphates on Carbon Nanotubes in Aqueous Solution
The Journal of Physical Chemistry C·2008· 27 cited
Hydrophobic interactions at molecular scale.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2008Open Access
Studies of the Thermodynamic Properties of Hydrogen Gas in Bulk Water
The Journal of Physical Chemistry B·2007· 45 citedOpen Access
Final report : LDRD project 79824 carbon nanotube sorting via DNA-directed self-assembly.
2007Open Access
Bubble point pressure estimates from Gibbs ensemble simulations
Fluid Phase Equilibria·2007· 11 cited
Hydrogen clathrate hydrates as a potential hydrogen storage material
Bulletin of the American Physical Society·2007
Fuel traps: mapping stability via water association.
2007Open Access
High performance computing for the application of molecular theories to biological systems
Journal of Physics Conference Series·2006· 1 citedOpen Access
Comparison of the AMBER, CHARMM, COMPASS, GROMOS, OPLS, TraPPE and UFF force fields for prediction of vapor–liquid coexistence curves and liquid densities
Fluid Phase Equilibria·2006· 154 cited
Using arbitrary trial distributions to improve intramolecular sampling in configurational-bias Monte Carlo
Molecular Physics·2006· 65 cited
Molecular studies of the structural properties of hydrogen gas in bulk water
Molecular Simulation·2006· 28 cited
Electronic structure of intrinsic defects in crystalline germanium telluride
Physical Review B·2006· 234 cited
Final report :LDRD project 84269 supramolecular structures of peptide-wrapped carbon nanotubes.
2006Open Access
Theory of persistent, p-type, metallic conduction in c-GeTe
Journal of Physics Condensed Matter·2005· 67 cited
Monte Carlo molecular simulation predictions for the heat of vaporization of acetone and butyramide
Fluid Phase Equilibria·2005· 39 cited
A combined molecular simulation-molecular theory method applied to a polyatomic molecule in a dense solvent
2004· 2 cited
An implicit solvent simulation of a neutral linear chain in a dense solvent.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2004
Industrial property prediction using Towhee and LAMMPS
Fluid Phase Equilibria·2003· 63 cited
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Frequent Co-authors

J. Ilja Siepmann(17), Susan B. Rempe(7), Aidan P. Thompson(5), Dubravko Sabo(5), Amalie L. Frischknecht(4), Sameer Varma(4), Laura J. Douglas Frink(4), Harold P. Hjalmarson(3), Thijs J. H. Vlugt(3), Berend Smit(3), Rajamani Krishna(3), Jeffery A. Greathouse(3), Mark R. Schure(3), Kevin Leung(3), Collin D. Wick(2), Arthur H. Edwards(2), Andrew C. Pineda(2), Peter A. Schultz(2), Bin Chen(2), Jacalyn S. Clawson(2)