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High Throughput Simulations in the Materials Design MedeA Environment
High Throughput Simulations in the Materials Design MedeA Environment

Presented by Dr. Clive Freeman

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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.

Watch this webinar to:

  • Learn how high throughput calculations in MedeA can make simulations straightforward, even when hundreds or thousands of calculations are required.

  • Discover how high throughput calculations in MedeA are a basis for screening experimentally known materials, a means to explore the effect of chemical composition on properties, and provide an improved understanding of the precision of computational results.

  • Work more efficiently with the power of high throughput capabilities and build on the flexibility of the MedeA environment.

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