Quantitative Quantum Chemistry
An international workshop in honor of Prof. Thom Dunning
Please remember that the hotel registration cut off date is Feb. 17th.
The establishment of a systematic ab initio approach to the computation of accurate molecular properties was a major accomplishment of the past two decades. For many small molecules it is now possible to compute structure, energetics and many other properties with a precision rivaling, and sometimes exceeding, that of experiment. Yet, many challenges remain such as direct computation of accurate values without resort to basis extrapolation and the practical extension of these methods to large molecules. Beyond the electronic structure problem is the challenge of describing molecular reaction dynamics occurring on multiple high-dimension potential energy surfaces. This workshop will provide a forum for the presentation, review and discussion of current research including theory, methods and application to chemical systems.
Some funds are available to sponsor student attendance; please contact the organizers for more information.
Spouses/significant others are welcome to join us for meals. The costs for meals:
This workshop is sponsored by Argonne National Laboratory, Los Alamos National Laboratory, Oak Ridge
National Laboratory, Pacific Northwest National Laboratory, and the U.S. Department of Energy, Office of Basic