Wednesday, February 8, 2012, 11:00 am — Building 735 - Conf. Rm. B
Fundamental structure-property relations in materials, measured experimentally, can be analyzed, explained and to some extent even predicted because of recent advances in ab initio based atomistic simulation methods. I will present some key examples from my own research about how these methods explain fundamental physics and chemistry of solid-state (oxides, clathrates and nanostructures), liquid-state (atomic and molecular) and interfacial (water-epitaxial graphene, solid-electrolyte-interface, interfacial catalysis) systems as found in technological materials such as ferroelectrics, relaxors, metallic glass, energy-related materials such as Li-ion batteries, supercapacitors and in nanomaterials for heterogeneous catalysis. Perspectives on possible future studies and directions will also be presented.
Hosted by: Mark Hybertsen
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