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Overview
This section contains references to papers and books utilizing the Towhee code since the project officially began in 1999.
If you have published a paper using Towhee and wish to have it included here please contact
Marcus G. Martin with the reference.
The publications are arranged by year of publication and then alphabetical by author.
2006
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Y. Houndonougbo; J.-X. Guo; G. H. Lushington; B. Laird;
"Monte Carlo simulations of CO2-expanded acetonitrile",
Mol. Phys. 104 2955-2960 (2006).
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P. A. Gordon;
"Development of intermolecular potentials for predicting transport properties of hydrocarbons",
J. Chem. Phys. 125 014504 (2006).
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M. G. Martin
"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 Equilib. 248 50-55 (2006).
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M. G. Martin and A. L. Frischknecht,
"Using arbitrary trial distributions to improve intramolecular sampling in configurational-bias Monte Carlo",
Mol. Phys. 104 2439-2456 (2006).
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D. Sabo, S. B. Rempe, J. A. Greathouse, and M. G. Martin,
"Molecular studies of the structural properties of hydrogen gas in bulk water",
Mol. Sim. 32 269-278 (2006).
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A. O. Yazaydin; R. W. Thompson;
"Simulating the vapour-liquid equilibria of 1,4-dioxane",
Mol. Sim. 32 657-662 (2006).
2005
- N. Du Preez;
"Determination of Phase Equilibria for Long-chain Linear Hydrocarbons by Monte Carlo Simulation.",
University of KwaZulu/Natal Masters Thesis (2005).
- L. J. D. Frink; M. Martin;
"A combined molecular simulation-molecular theory method applied to a polyatomic molecule in dense solvent",
Condens. Matter Phys. 8 271-280 (2005).
- M. G. Martin; M. J. Biddy;
"Monte Carlo Molecular Simulation Predictions for the Heat of Vaporization of Acetone and Butyramide",
Fluid Phase Equil. 236 53-57 (2005).
2004
- G. Kamath; F. Cao; J. J. Potoff;
"An Improved Force Field for the Prediction of the Vapor-Liquid Equilibria of Carboxylic Acids",
J. Phys. Chem. B 108 14130-14136 (2004).
- M. G. Martin; A. P. Thompson;
"Industrial property prediction using Towhee and LAMMPS",
Fluid Phase Equil. 217 105-110 (2004).
2003
- A. Narayanan;
"Molecular Simulation of R-245fa with Pentane",
Tennessee Tech Masters Thesis (2003).
2002
2001
- M. Chandross; E.B. Webb III; G.S. Grest; M.G. Martin; A.P. Thompson; M.W. Roth;
"Dynamics of Exchange at Gas-Zeolite Interfaces I: Pure Component n-Butane and Isobutane",
J. Phys. Chem. B 105 5700-5712 (2001).
- M.G. Martin; A.P. Thompson; T.M. Nenoff;
"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 molecular dynamics study",
J. Chem. Phys. 114 7174-7181 (2001).
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