Regensburg 2019 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 13: Frontiers of Electronic-Structure Theory: Focus on the Interface Challenge IV (joint session O/CPP/DS/TT)

DS 13.1: Topical Talk

Dienstag, 2. April 2019, 14:00–14:30, H9

The Data Revolution in Materials Science, Through the Lens of the Materials Project — •Kristin Persson — University of California, Berkeley, USA

Advanced materials are essential to economic and societal development, with applications in multiple industries, from clean energy, to national security, and human welfare. Historically, novel materials exploration has been slow and expensive, taking on average 18 years from concept to commercialization. Due to the tremendous improvements in computational resources, coupled with software development during the last decades, real materials properties can now be calculated from quantum mechanics much faster than they can be measured. A new era of computational materials prediction and design has been born. A result of this paradigm change are databases like the Materials Project which is harnessing the power of supercomputing together with state of the art quantum mechanical theory to compute the properties of all known inorganic materials and beyond, design novel materials and offer the data for free to the community together with online analysis and design algorithms. We leverage the rich data from the Materials Project for machine learning; accelerating materials design, characterization and finally synthesis of materials. This talk will survey this rapidly evolving and exciting paradigm in science, showcasing the possibilities and iteration between ideas, computations, insight and new materials development.