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(11-0411) Prof. Enrico Clementi, University of Insubria, Italy
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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).
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- Workflow Status:Published
- Created By:Shirley Tomes
- Created:03/09/2011
- Modified By:Fletcher Moore
- Modified:10/07/2016
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