|CCL 13.02.05 Q-Chem Webinar entitled "The Harvard Clean Energy Project"|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
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 Registration: https://attendee.gotowebinar.com/register/5773728319833233664 Summary: 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 IBMâs 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.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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