1996 AIChE Annual Meeting
Location: Chicago, Palmer House Hotel
Date: November 10-15, 1996

Click here for the list of presentations.

Here, "computational chemistry" refers to calculations at molecular, interfacial, and bulk scales. Typical techniques include:

• Group- and structure-based correlations;
  
• Molecular-mechanics models of bonding;
  
• Molecular dynamics and Monte Carlo methods;
  
• Semi-empirical molecular-orbital methods;
  
• Density functional theory of molecular structure; and
  
• Ab initio wavefunction methods. These types of methods have moved from promise to practice, as will be shown in the plenary session. They now are answering questions about thermochemistry, kinetics, transport properties, interfacial phenomena, solid structure, drug and enzyme function, and polymer behavior. Poster papers are invited on current and potential industrial applications.

  Revise abstract submissions electronically with AIChE.

  Papers from the session will be considered for publication in a special issue of Industrial & Engineering Chemistry Research. These papers must be received by Prof. Westmoreland by July 31, 1996:

  Phillip R. Westmoreland
  Department of Chemical Engineering
  University of Massachusetts Amherst
  P. O. Box 33110, 159 Goessmann Lab
  Amherst MA 01003-3110
  413-545-1750; FAX: 413-545-1647
  westm@ecs.umass.edu

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  For your further interest:
  AIChE Discussion Group
  U.S. research groups in chemical engineering (academic)
  Commercial sites and software sources
  Other useful and interesting sites
  and its 1996 Annual Meeting

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  Last revision: June 5, 1996.