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Overview
This section contains references for public talks and posters utilizing the Towhee code since the project officially began in 1999.
If you have presented a public talk or poster using Towhee and wish to have it included here please contact
Marcus G. Martin with the reference.
The presentations are arranged by year and then alphabetical by author.
2007
- P. Boulet, C. Vagner, D. Berger-Lefranc, O. Schaef, R. Denoyel and B. Kuchta,
"Computational Chemistry Investigation of the Interaction of Paracresol with Alkali Cations and Water Within Zeolites.
Application to Uremic Toxins Elimination",
FOA9, 9th international conference on Fundamentals Of Adsorption,
Giardini Naxos, Sicily, Italy.
(May 20-25 2007).
2006
- Cessna M. Baca and Martha C. Mitchell, New Mexico State University,
"Predicting Vapor-Liquid Equilibrium for Hydrazine using Gibbs Ensemble Monte Carlo Simulations with updated OPLS Force Field Parameters",
The Eleventh Annual Undergraduate Research and Creative Arts Symposium,
Las Cruces, NM (April 28, 2006).
- Marcus G. Martin, Sandia National Laboratories,
"Recent advances in Configurational-bias Monte Carlo",
19th Annual Workshop: Recent Developments in Computer Simulation Studies in Condensed Matter Physics,
University of Georgia, Athens, GA (February 2006).
2005
- Marcus G. Martin, Sandia National Laboratories,
"Computing Vapor-Liquid Coexistence Curves for Metals",
2005 Annual AIChE Meeting, Cincinnati, OH (October 2005).
- Marcus G. Martin, Sandia National Laboratories,
"Using the Monte Carlo Simulation Code Towhee to Predict Thermodynamic Properties of Fluids",
AIChE Spring Meeting, Atlanta GA (April 11, 2005)
2004
- Nicholas du Preez, Marcus G. Martin Tyrone McKnight, Deresh Ramjugernath, University of Kwazulu-Natal and Sandia National Laboratories,
"Pure Component Coexistence Properties for Long-chain 1-alkenes and 1-alcohols by Molecular Simulation Using Transferable Force Fields",
ICCT 2004, Bejing China.
- Ganesh K Kamath, Jeffrey J Potoff, Wayne State University,
"Phase Behavior and Structure of Acetic Acid.",
2004 AIChE Annual Meeting, Austin TX (October 2004).
2003
- Marcus G. Martin, Sandia National Laboratories,
"Towhee: A Monte Carlo molecular simulation program for industrial applications",
226th ACS National Meeting, New York NY (September 2003).
- Jonathan Moore, Dow Chemical Company,
"Predicting the Henry's Law Constants of Oxygen and Other Gases in Ethylene Oxide by Molecular Simulation",
2003 AIChE Annual Meeting, San Francisco CA (October 2003).
Jonathan Moore, Dow Chemical Company,
"Molecular Simulation for Industrial Physical Property Prediction",
Colorado School of Mines, Golden CO (March 7, 2003).
- Jonathan Moore, Dow Chemical Company,
"Prediction of gas solubility in ethylene oxide by molecular simulation",
FOMMS 2003, Keystone CO (July 2003)
2002
- Marcus G. Martin, Sandia National Laboratories,
"Improving the configurational-bias Monte Carlo algorithm for complex fluids",
University of Minnesota, Minneapolis, MN (September 2002).
- Marcus G. Martin, Sandia National Laboratories,
"Towhee: A Molecular Simulation Tool for Fluid Phase Property Prediction",
Wright-Patterson Air Force Base, Dayton, OH (August 2002).
- Marcus G. Martin, Sandia National Laboratories,
"Towhee: A Molecular Simulation Tool for Fluid Phase Property Prediction",
Dow Chemical, Midland, MI (April 2002).
- Marcus G. Martin, Sandia National Laboratories,
"Molecular Simulation for the Chemical Industry",
AIChE Spring Meeting, New Orleans, LA (March 2002).
- Jonathan Moore, Dow Chemical Company,
"Application of theory and simulation to industrial problems in phase equilibria and interfacial modification",
224th ACS National Meeting, (August 22, 2002).
- Jonathan Moore, Dow Chemical Company,
"Evaluating Molecular Simulation for Industrial Physical Property Prediction",
2002 AIChE Annual Meeting (November 8, 2002).
2001
- Marcus G. Martin, Laura J.D. Frink, Sandia National Laboratories,
"Using Configurational-bias Monte Carlo to Perform Flexible Drug Docking",
2001 AIChE Annual Meeting, Reno, NV (11/2001).
2000
- Marcus G. Martin, Sandia National Laboratories,
"Comparison of the Amber, Charmm, Compass, Gromos, OPLS and TraPPE Force Fields",
2000 AIChE Annual Meeting, Los Angeles, CA (11/2000).
- Marcus G. Martin, Sandia National Laboratories,
"Assessing the accuracy of biological force fields for molecular simulation",
Rush University, Chicago, IL (10/2000).
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