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Navigating Chemical Compound Space for Materials and Bio Design

Workshop III: Materials Design in Chemical Compound Space

May 2 - 6, 2011


Organizing Committee | Scientific Overview | Speaker List

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Organizing Committee

Gerbrand Ceder (Massachusetts Institute of Technology)
Vincent Crespi (Pennsylvania State University)
Ralf Drautz (Ruhr-Universität Bochum, Department of Materials)
H. Eliot Fang (Sandia National Laboratories)
Kristen Fichthorn (Pennsylvania State University)
Graeme Henkelman (University of Texas at Austin, Department of Chemistry)
Steven Lustig (DuPont Central Research and Development)
Tamar Seideman (Northwestern University)

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Scientific Overview

Investigating and predicting materials behavior can be achieved in various ways, ranging from numerically intensive multi-scale computations to simple analytic methods such as model Hamiltonians. If these materials simulation methods were altered to enable design of new materials, as well as description of existing materials, then a large set of materials and their properties could be addressed. This workshop will bring together mathematicians, physicists, chemists, materials researchers and engineers, and others to discuss progress on catalyst design, meta-materials, heat-transfer fluid design, ionic liquid design, designer materials, crystal engineering, and other topics.

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Confirmed Speakers

Denis Andrienko (Max Planck Institute for Polymer Research)
Volker Blum (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Emily Carter (Princeton University)
Gerbrand Ceder (Massachusetts Institute of Technology)
Vincent Crespi (Pennsylvania State University)
Stefano Curtarolo (Duke University)
Ralf Drautz (Ruhr-Universität Bochum)
Kristen Fichthorn (Pennsylvania State University)
Bjork Hammer (Aarhus University)
Graeme Henkelman (University of Texas at Austin)
Richard Hennig (Cornell University)
Suljo Linic (University of Michigan)
Steven Lustig (DuPont Central Research and Development)
Vidvuds Ozolins (University of California, Los Angeles (UCLA))
Kristin Persson (Lawrence Berkeley Laboratory)
Jutta Rogal (Ruhr-Universitaet Bochum)
David Rogers (Sandia National Laboratories)
Joachim Sauer (Humboldt-Universität)
Matthias Scheffler (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Tamar Seideman (Northwestern University)
David Sholl (Georgia Institute of Technology)
Adri van Duin (Pennsylvania State University)
Chris Wolverton (Northwestern University)
Sidney Yip (Massachusetts Institute of Technology)
Alex Zunger (National Renewable Energy Laboratory)

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Contact Us:

Institute for Pure and Applied Mathematics (IPAM)
Attn: CCSWS3
460 Portola Plaza
Los Angeles CA 90095-7121
Phone: 310 825-4755
Fax: 310 825-4756
Email: ipam@ucla.edu
Website: http://www.ipam.ucla.edu/programs/ccsws3/

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