| Computational Chemistry
Department of Chemistry
The Garrison group (under the direction
of Barbara Garrison, bjg@chem.psu.edu,
http://galilei.chem.psu.edu)
conducts research in the modeling of chemical reactions and interactions
at material surfaces, using computational techniques in classical dynamics.
These simulations typically describe the behavior of systems in excess
of 200,000 particles, requiring significant computational and visual resources
to solve and analyze. Utilizing the campus backbone and the groupâs
ATM infrastructure (OC-3, 155 megabits/s), research group members will
demonstrate the distributed visualization of the interaction between an
argon atom bombarding a substrate of silver atoms and benzene molecules.
For one study, interactions resulting from between 1,000 and 3,000 different
initial trajectories are computed, each simulation requiring up to four
hours. The results from these simulations are then compared and contrasted
to experimental data.
Location: 321 Whitmore Building Scheduled Demonstration Times: Research and C&IS staff will be on hand from 12:30-5:00 PM to answer your questions. |