Workshop III: Materials Design in Chemical Compound Space

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.