|
 |
Rod Bartlett will receive
the 2008 Schroedinger Medal fron the World Association of Theorectical
and Computational Chemists at the WATOC World Congress in Sydney,
Australia, September 14-19, 2008. The medal is being awarded for
"his outstanding work on the systematic development of correlated
wave function methods, especially many-body perturbation theory and
coupled cluster theory."
Rod Bartlett is
co-organizer of a workshop "Atomic, Chemical, and Nuclear Developments
in Coupled Cluster Theory" being held at the Institute for Nulcear
Theory of the University of Washington. The workshop will run June 23
to July 25, 2008. For more information, contact Dr. Bartlett at
bartlett@qtp.ufl.edu.
The founder of ACES Q.C., Rod Bartlett,
we recently named the recipient of the American Chemical Society
Award for Theoretical Chemistry for 2007! The citation withiin by
the late John Pope read, ".... for his development of many-body
pertubation theory and coupled cluster theory."
[08.12.05] ACES QC
has created a parallel version of ACES II, ACESIII to perform coupled-cluster
calcuations, that runs at ~90% efficiency over 256 processors. This
work was sponsored by a CHSSI from the DoD. Results have been reported
at the workshop using ACES III .
|
|
 |
ACES QC has recently
received funding for a phase II STTR from AFOSR. In cooperation
the University of Florida, ACES QC will develop software to provide
reliable, make calculations of rate constants for gas phase reactions,
convenient spinning the spectrum, reliable structure claculations
theory from coupled-cluster theory, or density funtional theory,
to even simpler, transfer Hamiltonion, altermatives.
|
|