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Past Events
Multi-scale Modeling and Large Scale Algorithm
| Speaker: | Prof. Wang Chongyu |
| Affiliation: | Professor, Member of the Chinese Academy of Sciences Department of Physics, Tsinghua University, China |
| Date: | September 8, 2009 (Tue) |
| Time: | 4:00-5:00 p.m. |
| Venue: | Room 522, 5/F, Chong Yuet Ming Physics Building, HKU |
Abstract:
The general representation about the multi-scale modeling and related approaches are briefly reported. A concurrent mode hybrid energy density method-density functional based for coupling between quantum mechanics and molecular dynamic subsystem are reported. At the same time, the sequential mode analytic transforming of physical parameters and its application to alloy system are also reported. Finally, the algorithm for large scale electronic structure and large scale relaxation of constrained configuration will be talked briefly.
Coffee and tea will be served 20 minutes prior to the seminar.