Participating Research Groups
There is time available for 43 plenary talks. One slot was saved for the
Dirac Award winner, and registration for new plenary talks was closed when
the total of those making commitments reached 42. The 42 investigators
who will present these talks are listed below. These senior investigators
have also indicated that if possible at least one additional member of
their group will attend and present a poster paper.
Plenary talk list:
Daniel M. Chipman
University of Notre Dame
Reaction Field Theory for Electronic Structure
Christopher Cramer
University of Minnesota
New Developments and Applications of SMx Models
Larry A. Curtiss
Argonne National Laboratory
Computational Thermochemistry using Gaussian-3 Theory
Ernest Davidson
Indiana University
A Computational Verification of the Relation of Dyson Orbitals to Kohn-Sham Orbitals
Michael Davis
Argonne National Laboratory
Geometric Approach to Multiple-Time-Scale Kinetics
Janet Del Bene
Youngstown State University
NMR and IR Properties of Hydrogen-Bonded Complexes
Jerry R. Dias
University of Missouri at Kansas City
Unified Structure Theory of Benzenoid Hydrocarbons
Clifford Dykstra
Indiana-Purdue University at Indianapolis
Slipperiness on Sticky Intermolecular Interaction Surfaces
Karl Freed
James Franck Institute
University of Chicago
IVO-CASCI method as a replacement for CASSCF calculations in electronic
structure packages.
Jiali Gao
University of Minnesota
Combined QM/MM Simulations of Enzymatic Reactions and Membrane Proteins
J. Daniel Gezelter
University of Notre Dame
A Reductionist Model for Biological Membranes
Rainer Glaser
University of Missouri at Columbia
Theoretical Studies of DNA Base Deamination
Mark Gordon
Iowa State University
Excited State H-Transfer Reactions
Stephen Gray
Argonne National Laboratory
Real Wave Packet Approach to the Quantum Dynamics of Four-Atom Systems
Christopher M. Hadad
Ohio State University
Conformational Analysis of Carbohydrates Containing Arabinofuranosyl Rings
Lawrence B. Harding
Chemistry Division, Argonne National Lab
Radical-Radical Recombination Reactions
William Hase
Wayne State University
Dynamics of Central Barrier Crossings in Gas Phase X- + CH3Y SN2 Nucleophilic Substitution Reactions
Katharine Hunt
Michigan State University
Nonlocal, Intramolecular Dielectric Functions
Jan Jensen
University of Iowa
The EFP Method: Theory and Biochemical Applications
Steven R. Kass
University of Minnesota
Probing Electrostatic Effects via Experiment and Theory
Samuel Krimm
University of Michigan
Spectroscopically Determined Polarizable Force fields for Macromolecules
Jerzy Leszczynski
Jackson State University
Molecular Structures and Properties of Complexes with Weakly Interacting Ligands: Shells and Shellvents
Nancy Makri
University of Illinois at Urbana-Champaign
Quantum Dynamics of Large Systems: Recent Developments and Applications
Todd Martinez
University of Illinois at Urbana-Champaign
Generalized Electronegativity and New Models for Charge
Glenn Martyna
Indiana University
Folding Atomistic Models of Proteins on Computers
Anne McCoy
Ohio State University
Diffusion Monte Carlo Studies of the Structure and Spectra of Weakly Bound Complexes
Piotr Piecuch
Michigan State University
New Coupled-Cluster Methods for Molecular Potential Energy Surfaces and Excited States
Mark Ratner
Northwestern University
Some Notions about Molecular Junctions, and Transport in Them
Stuart A. Rice
University of Chicago
Quasi-Two-Dimensional Systems: Structure and Dynamics
Stuart Rothstein
Brock University
Quantum Monte Carlo Study of Static Electrical Properties of Atoms and Molecules
George Schatz
Northwestern University
Metal Nanoparticles and Nanoparticle Aggregates
H. Bernhard Schlegel
Wayne State University
Exploring Potential Energy Surfaces for Chemical Reactions using Electronic Structure Methods
David M. Schrader
Marquette University
Antimatter Systems via Quantum Monte Carlo
Ilja Siepmann
University of Minnesota
Simulating Microheterogeneous Fluids
James Skinner
University of Wisconsin
Spectroscopy and Dynamics in Liquids
Xueyu Song
Iowa State University
The Role of Anisotropic Interaction in Protein Crystallization
Donald Truhlar
University of Minnesota
Chemical Dynamics Research
Olaf Wiest
University of Notre Dame
Pericyclic Reactions of Radical Cations
Angela Wilson
University of North Texas
Extensions of Ab Initio Methodology to Chemical System of Intermediate and Large Size
Arun Yethiraj
University of Wisconsin
Dynamics of Polyelectrolyte Solutions
Darrin York
University of Minnesota
Multi-scale Quantum Models to Study RNA Catalysis
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