Seminars & Events

Argonne Leadership Computing Facility Seminar
"Materials by Design for Optoelectronic Applications"

DATE: September 25, 2012
TIME: 2:00 PM - 3:00 PM
SPEAKER: Jacque Cole, Professor - University of Cambridge, UK
LOCATION: Building 240 Conference Room 1406-1407, Argonne National Laboratory
HOST: Anatole von Lilienfeld

Description:
This talk presents a range of materials by design methods that are being employed to systematically discover new classes of organic materials for optoelectronic applications. These methods include large-scale data-mining, using empirical methods (embracing discrete mathematics) and high-throughput quantum-chemical calculations. Two case studies illustrate the predictive success of this work: the materials discovery of high-performance organic (1) non-linear optical materials, and (2) dyes for dye-sensitized solar cells.

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