Workshop III: Materials Design in Chemical Compound Space

May 2 - 6, 2011


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.


Organizing Committee

Gerbrand Ceder (Massachusetts Institute of Technology)
Vincent Crespi (Pennsylvania State University)
Ralf Drautz (Ruhr-Universit├Ąt 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)