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There is now a CONTENT FREEZE for Mercury while we switch to a new platform. It began on Friday, March 10 at 6pm and will end on Wednesday, March 15 at noon. No new content can be created during this time, but all material in the system as of the beginning of the freeze will be migrated to the new platform, including users and groups. Functionally the new site is identical to the old one. webteam@gatech.edu
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Prof. Enrico Clementi, University of Insubria, Italy
With computers from atoms to macromolecular systems
Physical Chemistry Seminar Series
The seminar deals with methodology via computer simulations, starting with quantum chemistry. The Hartree-Fock and the Heitler- London methods are shown not to be the best starting point for more accurate computations; the recent Hartree-Fock-Heitler-London method appears to be a reliable ab-initio approach requiring relatively short expansion. Then we proceed with Molecular Dynamics, Langevin and Micro-dynamics.
For more information contact Prof. Mostafa El-Sayed (404-894-0292).
