Computational Exploration of Energy Landscapes:
Challenges and Solutions
This international symposium, to be held at the ACS National meeting,
August 28 - September 1, 2005, in Washington, D.C., will
highlight recent fundamental advances in
computing potential energy landscapes and their
use in problems from small-molecule spectroscopy to large
systems of biological interest. Topics include new approaches to
nondynamical correlation and bond-breaking reactions, multi-reference
methods, nonadiabatic and non-Born-Oppenheimer approaches, potential
energy functions of biologically relevant systems, and the study of
particularly challenging chemical reactions involving one or more
potential energy surfaces.
The symposium will be a 5-day event
(nine half-day sessions), and will also include poster sessions
(as a subgroup of the Physical Chemistry poster sessions).
The deadline for abstract submissions was April 8; the program
is now finalized.
Invited talks will be 40 minutes long, including 5-10
minutes for discussion. Contributed talks will be 20 minutes long, including
4 minutes for questions.
Detailed Schedule and
Full P-Chem Schedule
Organizers:
Prof. C. David Sherrill (Georgia Tech)
and
Prof. Anna I. Krylov (USC)
Invited speakers:
Ad van der Avoird (Nijmegen)
Rodney Bartlett (Florida)
Joel Bowman (Emory)
Bernie Brooks (NIH)
Garnet Chan (Cornell)
Daniel Crawford (Virginia Tech)
Attila Csaszar (Eotvos)
Thom Dunning (Illinois/NCSA)
Joe Francisco (Purdue)
Richard Friesner (Columbia)
Mark Gordon (Iowa State)
Ian Gould (Imperial College, London)
Mark Hoffmann (North Dakota)
Steve Klippenstein (Sandia)
Jing Kong (Q-Chem)
Timothy Lee (NASA Ames)
Alexander MacKerell (Maryland)
Spiridoula Matsika (Temple)
David Mazziotti (Chicago)
Keiji Morokuma (Emory)
Alexandr Nemukhin (Moscow State)
Jeppe Olsen (Aarhus)
Piotr Piecuch (Michigan State)
Peter Pulay (Arkansas)
Vitaly Rassolov (South Carolina)
Fritz Schaefer (Georgia)
Walter Thiel (Max-Planck-Institut fuer Kohlenforschung)
Sergei Tretiak (Los Alamos)
Don Truhlar (Minnesota)
Edward Valeev (Georgia Tech)
Angela Wilson (North Texas)
David Yarkony (Johns Hopkins)
Sponsored by:
Q-Chem, Inc.
Petroleum Research Fund of the ACS