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Computation | Entrepreneurship | Environmental | Fuels, Petrochemicals & Petroleum
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Computation
     * indicates ACS or AIChE as the primary sponsor
     ‡ ACS Preprint Required for Acceptance
      AIChE Extended Paper Requested After Acceptance (3 months prior to meeting)

Computational Catalysis (abstract deadline: 10/28/07)
Simulation methods for computing mechanisms and rates of catalyzed reactions; Computational methods for identifying new catalyst compositions; Recent advances in computational catalysis

ACS Division of Computers in Chemistry *
Andrew Rappe, University of Pennsylvania
rappe@sas.upenn.edu

AIChE CoMSEF (Group 21)
Suljo Linic, University of Michigan
linic@umich.edu


Computational Evaluation of Rate Constants (abstract deadline: 10/28/07)
Computer applications and methods for computing and estimating rates of chemical reaction; Recent advances

ACS Division of Computers in Chemistry *
Thanh Truong, University of Utah
truong@chemistry.chem.utah.edu

AIChE CoMSEF (Group 21)
Herbert DaCosta, Caterpillar
DaCosta_Herbert@cat.com


Computational Phase Equilibria (abstract deadline: 10/28/07)
Computer applications and methods for simulating phase equilibria; Recent advances

ACS Division of Computers in Chemistry *
Ilya Seipann, University of Minnesota
siepmann@chem.umn.edu

AIChE CoMSEF (Group 21)
Karl Johnson University of Pittsburgh
karlj@puccini.che.pitt.edu


Developing Environmental Foresight Through Computational Chemistry and Modeling
(abstract deadline: 12/09/07)
Using computational chemistry and modeling to predict the environmental liability of new chemistries and products; Using computational chemistry to allow stakeholders to make informed decisions prior to the implementation of new technologies

ACS Division of FUEL Chemistry
Linda Broadbelt, Northwestern University
broadbelt@northwestern.edu

AIChE Catalysis and Reaction Engineering Division (Group 20) *
Paul Blowers, University of Arizona
blowers@engr.arizona.edu


Multiscale Modeling in Biophysics (abstract deadline: 10/28/07)
Submit abstract to one of the following sessions »
    » Oral Contributions
    » Poster Contributions
Role of protein dynamics and folding in processes, e.g.,  assembly of super-molecular complexes, signaling, and binding; DNA replication/transcription, where modeling data obtained with electron force microscopy involves bridging atomistic and continuum models; Modeling transport through ion channels

ACS Division of Physical Chemistry *
Cecilia Clementi, Rice University
cecilia@rice.edu

Gregory A. Voth, University of Utah
voth@chem.utah.edu

AIChE Thermodynamics and Transportation Properties (Area 1a)
M. Scott Shell, University of California Santa Barbara
shell@engr.ucsb.edu


Thermodynamics in Chemical Engineering: Prospects and Perspectives I & II
(abstract deadline: 12/09/07)
Interdisciplinary communities from chemical engineering, chemistry, physics, molecular biology and computer science; Modeling and computational techniques; Advances in multiscale problems in modern biophysics

ACS Division of Physical Chemistry
Cecilia Clementi, Rice University
cecilia@rice.edu
AIChE Thermodynamics and Transportation Properties (Area 1a) *
M. Scott Shell, University of California Santa Barbara
mscottshell@gmail.com
12/09/07