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Up Directory CCL 13.02.05 Q-Chem Webinar entitled "The Harvard Clean Energy Project"
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Date: Tue Jan 29 15:00:51 2013
Subject: 13.02.05 Q-Chem Webinar entitled "The Harvard Clean Energy Project"
Title:  The Harvard Clean Energy Project

Presenter: Prof. Alan Aspuru-Guzik, Department of Chemistry, 
Harvard University

When:  4PM, Tuesday, Feb. 5, 2013
Duration:  1hr



The Harvard Clean Energy Project (CEP) is a theory-driven search for the
next generation of organic solar cell materials. CEP has established an
automated, high-throughput, in silico framework to study potential
candidate structures for organic photovoltaics. At this phase, we are
concerned with the characterization of millions of molecular motifs using
first-principles quantum chemistry (as implemented in the Q-Chem software
package). The scale of this study requires a correspondingly large
computational resource, which is provided by distributed volunteer
computing on IBM’s World Community Grid. The results are compiled and
analyzed in an extensive reference database and will be made available for
public use. In addition to finding specific candidates with certain
properties, it is the goal of CEP to illuminate and understand the
structure property relations in the domain of organic electronics. Such
insights can open the door to a rational and systematic design of future
high-performance materials.   The computational work in CEP is tightly
embedded in a collaboration with experimentalists, who provide valuable
input and feedback to the project. 

About the presenter:

Prof. Alan Aspuru-Guzik holds a Ph.D. in physical chemistry from UC
Berkeley, and is currently an associate professor of Chemistry and
Chemical Biology at Harvard University. His research lies at the
intersection of quantum information/computation and theoretical chemistry.
He is interested in energy transfer dynamics and renewable energy
materials. Alan's group has made many contributions to the Q-Chem
software, including a GPU implementation of RIMP2 energy calculations.
Alan has been recognized by many awards, such as the Sloan Research Fellow
(2009), Camille and Henry Dreyfus Teacher-Scholar (2009), DARPA Young
Faculty Award (2009),ACS HP Outstanding Junior Faculty Award (2010),
MIT Technology Review Young Innovator (2010), Elected Fellow 
of American Physical Society (2012), and ACS Early Career Award in
Theoretical Chemist.
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