Seminars & Events
Argonne Leadership Computing Facility
"Atomistic Simulations in the Era of High Performance Computing"
DATE: September 10, 2012
TIME: 2:00 PM - 3:00 PM
SPEAKER: Prof. Markus Meuwly, University of Basel
LOCATION: Building 240 Conference Room 1404-1405, Argonne National Laboratory
HOST: Anatole von Lilienfeld
Description:
In this seminar I will present some recent efforts in characterizing "simple chemical systems" by using computational approaches - primarily atomistic simulations. The processes of interest include energy transfer, simple reactions and ligand binding. The discussion will also focus on the question for what types of problems HPC is a requirement and how the dramatically increased computational resources may affect the scientific questions we ask.
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