Schedule of sessions and papers
Applying Molecular Simulation and Computational Chemistry
Schedule of sessions and papers
Sunday tutorial | Meeting registration and other information
Conference background | More about this field...
Topical Conference Co-Sponsors:
AIChE Groups/Areas 1a, 1d, 2e, 4, 8a, 8e, 9, 10a, 16e, 20, 21, and the Research and New Technology Committee
Applied Computational Research Society's International Conference on Computational Nanoscience
Materials Research Society
American Chemical Society, Industrial and Engineering Chemistry Division
Conference co-chairs:
Grant S. Heffelfinger (Sandia National Laboratories) and
Phillip R. Westmoreland (University of Massachusetts Amherst)

 
Sunday, November 4
  Tutorial: Molecularly Based Modeling for Materials and Chemicals Applications; Part I: Molecular Simulations
  Tutorial: Molecularly Based Modeling for Materials and Chemicals Applications; Part II: Quantum Chemistry
 
Monday morning, November 5
Reno Ballroom [1] Plenary Session: Topical Conference on Applying Molecular Simulations and Computational Chemistry
 
Monday afternoon, November 5
Crystal 1 [2] Plenary Session: Teaching Molecular and Materials Modeling
Reno Ballroom [113] Thermodynamic Properties and Phase Behavior I: Area 1a Plenary Lecture Session
Crystal 2 [344] Multi-Scale Approaches to Reaction Engineering
 
Tuesday morning, November 6
Crystal 1 [3] General Papers: Applying Molecular Simulations and Computational Chemistry
Crystal 5 [117] Molecular Simulation - Recent Advances I
Crystal 2 [347] Perspectives on Fundamental Modeling of Catalysis
 
Tuesday afternoon, November 6
Crystal 1 [57] Computational Chemistry and Drug Development
Crystal 2 [123] Applying Computational Chemistry and Molecular Simulations to Heterogeneous Catalysis
Crystal 5 [121] Molecular Simulation - Recent Advances II
 
Wednesday morning, November 7
Crystal 2 [125] Intermolecular Potentials for Industrial Applications
Crystal 1 [127] Theory and Simulation at the Mesoscale
Crystal 5 [353] Understanding Reactivity I
 
Wednesday afternoon and evening, November 7
Carson 1 [89] Modeling and Simulation of Nanoscale Systems I
Tahoe Room [131] Reference-Quality Data and Models for Thermophysical Properties: Session Honoring the Centennial of NBS/NIST
Crystal 5 [355] Understanding Reactivity II
Hilton Pavilion [4] Poster Session: Applying Molecular Simulations and Computational Chemistry
 
Thursday morning, November 8
Nevada 9 [92] Modeling and Simulation of Nanoscale Systems II
Crystal 1 [134] Combinatorial Studies of Complex Systems
Crystal 3 [136] Molecular Simulation and Theory of Adsorption Phenomena I
Crystal 5 [361] Understanding Reactivity III
 
Thursday afternoon, November 8
Crystal 3 [138] Molecular Simulation and Theory of Adsorption Phenomena II
Crystal 2 [132] Molecular Simulations of Fluids at High Pressures
Ruby 2 [262] Computational Chemistry for Environmental Applications
 
Friday morning, November 9
Carson 2 [140] Computational Chemistry in Process Design
Cascade 1 [142] Modeling and Simulation of Electronic and Photonic Materials Processing
Teton 2 [326] Molecular Modeling for the Oil and Gas Industry

  • AIChE's Computational Molecular Science and Engineering Forum, CoMSEF.
  • ChE academic research groups
  • On-line courses and texts
  • Commercial and free software
  • Other sites
  • Journals and technical reports
    Go to AIChE's home page.
    Last update: August 21, 2001.
    Contact westm@ecs.umass.edu for corrections or inquiries.