Bulletin of the American Physical Society
APS March Meeting 2013
Volume 58, Number 1
Monday–Friday, March 18–22, 2013; Baltimore, Maryland
Session A10: Invited Session: Hard and Soft Materials Modeling, Simulations and Big Data
8:00 AM–11:00 AM,
Monday, March 18, 2013
Sponsoring Unit: DCOMP
Chair: Priya Vashishta, University of Southern California
Abstract ID: BAPS.2013.MAR.A10.1
Abstract: A10.00001 : First-principles modeling of hard and soft matter*
8:00 AM–8:36 AM
Preview Abstract Abstract
(Chemistry Department, Princeton University, Princeton NJ08544)
Electronic and atomistic processes are key to bio-inspired functional materials and nanocatalysts for energy applications. This talk will review recent simulation studies and discuss the challenges that first-principles quantum mechanical approaches face when addressing these issues.
*Supported by DOE-DE-FG02-06ER-46344, DOE-DE-SC0008626, DOE-DE-SC0005180, and NSF-CHE-0956500.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2013.MAR.A10.1
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