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Thomas W. Rosch

Current Research Interests:

  • Coarse-graining of polymeric materials in support of the Materials Genome Initiative (MGI).
  • Second virial coefficient calculations
  • Shock Hugoniot calculations

Previous Research Interests:

  • Reactive ensemble Monte Carlo
  • Phase behavior of colloidal solutions

Selected non-NIST Publications

Rosch, T.W.,Brennan, J.K., Izvekov, S., Andzelm, J.W., "Exploring the Ability of a Multiscale Coarse-grained Potential to Describe the Stress-strain Response of Glassy Polystyrene." Physical Review E 2013 (87) 042606

Wu, H., Shah, J.K., Tenney, C.M., Rosch, T.W., Maginn, E.J., "Structure and Dynamics of Neat and CO2 Reacted Ionic Liquid Tetrabutylphosphonium 2-Cyanopyrrolide." Industrial & Engineering Chemistry Research 2011 (50) 8983

Rosch T.W., "Reaction Ensemble Monte Carlo Simulation of Complex Molecular Systems." Journal of Chemical Theory and Computation 2011 (7) 269

Rosch, T.W., "Phase Behavior of Model Confined Fluids. Influence of Substrate-Fluid Interaction Strength." Journal of Physical Chemistry B 2008 (112) 14911

Rosch, T.W., "Fluid Phase Behavior of a Model Colloid-polymer Mixture: Influence of Polymer Size and Interaction Strength." Journal of Chemical Physics 2008 (129) 164907

Rosch, T.W., "Investigation of the Phase Behavior of an Embedded Charge Protein Model Through Molecular Simulation." Journal of Physical Chemistry B(111) 12591



NRC Postdoctoral Fellow
Materials Science and Engineering Division
Polymers and Complex Fluids Group

Employment History:

2008-2011: Postdoctoral Researcher, Notre Dame University, The Ed Maginn Group.

2011-2013: Postdoctoral Researcher, Army Research Lab, Weapons and Materials Research Directorate, Materials and Manufacturing Science Division


Ph.D., Chemical Engineering, State University of New York at Buffalo, 2008. Advisor: Jeffery R. Errington

B.S., Summa Cum Laude, Chemical Engineering, State University of New York at Buffalo, 2003.


Phone: 301-975-5318
Email: thomas.rosch@nist.gov
Fax: 301-975-4924