FOMMS 2000

Meeting activities:
  Speakers & titles
  Posters (sessions A and B)

Meeting arrangements:
  Registration form (pdf)
  Lodging and travel information

Meeting chairs and
Organizing Committee

Instructions for authors
  in PC template
  for manuscript

FOMMS 2000:
Foundations of Molecular Modeling and Simulation

Technical Program of Invited Speakers

  Sunday evening, July 23, 2000
Keynote address
Gregory J. McRae Gregory J. McRae, MIT
Keynote Address: Bridging scales from molecular modeling to process design
  Monday morning, July 24, 2000
Applications in Industry
Anne M. Chaka Anne M. Chaka, Lubrizol
Surface structure and reactivity in a complex environment
Daniel A. Kleier Daniel A. Kleier, DuPont
Molecular modeling and simulation of crop protection chemicals
William F. Schneider William F. Schneider, Ford Motor Company
Chemical and materials simulation at Ford Motor Company
  Monday evening, July 24, 2000
Applying Theory
Keith E. Gubbins Keith E. Gubbins, North Carolina State University
Molecular Simulation: Some recent applications to phase and chemical equilibria
Klavs F. Jensen Klavs F. Jensen, MIT
Bridging length scales in simulations of vapor phase deposition
  Tuesday morning, July 25, 2000
Modeling of Polymers
Jozef Bicerano Jozef Bicerano, Dow Chemical
Modeling of nanocomposite rheology and mechanical properties
Ulrich W. Suter Ulrich W. Suter, ETH Zentrum
Molecular modeling and simulation of polymers
Sharon C. Glotzer Sharon C. Glotzer, National Institute of Standards and Technology
Molecular and mesoscale simulations of filled and nanofilled polymers
  Tuesday evening, July 25, 2000
Biological Applications
Stephen L. Mayo Stephen L. Mayo, California Institute of Technology
Protein design via integration of molecular modeling and experiment
Gary A. Huber Gary A. Huber, University of California San Diego
Multiscale modelling of large biomolecules
  Wednesday morning, July 25, 2000
Force Fields and Molecular Simulations
Richard A. Friesner Richard A. Friesner, Columbia University
Development of polarizable potential energy functions from ab initio quantum chemical calculations
A. Z. Panagiotopoulos Athanassios Z. Panagiotopoulos, University of Maryland / Princeton University
Force field development for simulations of condensed phases
  Dominic J. Tildesley, Unilever
Molecular and mesoscale simulation: Theory and application
  Wednesday evening, July 25, 2000
Bridging Quantum and Molecular Scales
Parrinello Michele Parrinello, Max-Planck-Institut für Festkörperforschung
Role and Perspectives of ab-initio Molecular Dynamics in Physics and Chemistry
Keiji Morokuma Keiji Morokuma, Emory University
Development and Applications of the ONIOM, An Integrated Molecular Orbital + Molecular Mechanics Method
  Thursday morning, July 26, 2000
Kinetics and Reaction Engineering
Donald G. Truhlar Donald G. Truhlar, University of Minnesota
Molecular-scale modeling of reactions and solvation
Jens Norskøv Jens K. Nørskov, Center for Atomic-Scale Materials Physics (CAMP), Department of Physics, Technical University of Denmark
Catalysis from first principles
Tony Dean Anthony M. Dean, Exxon Mobil Research and Engineering Co. / Colorado School of Mines
Development and application of detailed kinetic mechanisms for free radical systems
  Friday morning, July 27, 2000
Visions of the Present and Future
Jack J.
Dongarra Jack J. Dongarra, University of Tennessee
High-performance computing today
Thom H. Dunning Jr Thom H. Dunning Jr., Pacific Northwest National Laboratory / US Department of Energy
Riding the computing tidal wave: A view from computational molecular science
Michael F. Doherty Michael F. Doherty, University of Massachusetts / UC-Santa Barbara
Molecular modeling in support of process design

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Last update: 19 July 2000.
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