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Slides

High Throughput Simulations in the Materials Design MedeA Environment

The environment in which computational materials science is carried out is important. This webinar is focused on high throughput calculations in the MedeA environment. The screening of experimentally known materials for specific desirable properties, the computation of properties for hypothetical materials, and the sampling of configurational space for systems which evolves slowly using current molecular dynamics timescales, will all be discussed. The impacts of such capabilities are substantial and the underlying driver for their existence, the increased availability of computational resources will insure the ongoing development of high throughput methods for many years to come.

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