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MM: Fachverband Metall- und Materialphysik

MM 8: Topical session: Integrated computational materials engineering for design of new materials II

MM 8.1: Topical Talk

Monday, March 7, 2016, 11:45–12:15, H38

Modern materials design from first-principles: Recent progress and future prospects — •Blazej Grabowski — Max-Planck-Institut für Eisenforschung, Düsseldorf, Germany

The ever increasing demand on the performance of modern materials requires optimized design strategies. Experimental techniques alone often reach their limits and need to be supported by atomistic simulations rooted in first-principles. The great challenge is to bridge the gap between quantities accessible by simulation and quantities relevant to experiment. In this talk, I will discuss our recent progress in tackling this challenge and the implications of our work on future research, by focusing in particular on the impact of finite temperatures and microstructural complexity.