Preliminary Program subject to change
21007 Frontiers of Molecular Simulation (Invited Talks)
OverviewThis plenary session will highlight recent advances and remaining challenges in molecular simulations for chemical engineering applications. Examples of such applications include chemical processing, interfacial phenomena, catalysis, molecular design, elucidating structure-function relationships, understanding biomolecular processes, and multiscale modeling of complex systems. Molecular simulation methods, strategies for spanning length and timescales of particular applications, and the computational science challenges of molecular scale modeling will be included.
Primary SponsorComputational Molecular Science and Engineering Forum (21)

Chair

Grant S. Heffelfinger
Deputy Director
Molecular & Computational Biosciences
Sandia National Laboratories
Biological & Energy Science Center
1515 Eubank S.E.
Albuquerque, NM 87185-1413
Phone Number: 505-845-7801
Fax Number: 505-284-1323
Email: gsheffe@sandia.gov

CoChair

David M. Ford
Associate Professor
Texas A&M University
Department of Chemical Engineering
TAMU 3122
College Station, TX 77843-3122
Phone Number: (979) 862-4850
Fax Number: (979) 845-6446
Email: D-Ford@chemail.tamu.edu
Frontiers of Molecular Simulation
Juan J. De Pablo, University of Wisconsin at Madison, 3111 Engineering Hall, 1415 Engineering Dr., Madison, WI 53706
Monte Carlo Simulation of Molecular Adsorption
Paul R. Van Tassel, Chemical Engineering, Yale University, 9 Hillhouse Avenue, New Haven, CT 06520
The Multi-Scale Simulation Challenge for Biomolecular Systems
GREGORY A. Voth, Center for Biophysical Modeling and Simulation and the Department of Chemistry, University of Utah, Room 2020, 315 S 1400 E, Salt Lake City, UT 84112

Computational Molecular Science and Engineering Forum