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krakaAbstractF17

PERFORMING CHEMICAL EXPERIMENTS ON THE COMPUTER

September 21, 2017
LeTourneau University, Longview, TX
Glaske C101, 11:00am

 

Abstract

The Computational and Theoretical Chemistry Group (CATCO) at Southern Methodist University (SMU) is devoted to the development and coding of quantum chemical methods and their application to shorten and facilitate chemical discovery processes, to avoid costly and/or dangerous experiments, and to obtain information not amenable to experiment. SMU’s new high-performance computer center forms a sound basis for these objectives.

A potpourri of recent research topics will be presented including the elucidation of weak chemical interactions important for material design; enzyme catalysis described at the atomistic level, and why warm water freezes faster than cold water. CATCO’s new PhD program in Theoretical and Computational Chemistry will be introduced.

SPEAKER

Elif Kraka, Professor and Department Head of Chemistry, Director of CATCO, (http://smu.edu/catco/)
Southern Methodist University, Dallas, TX

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