NASA’s Transformational Tools and Technologies project integrates AI, advanced materials, and computational methods to ...
A new AI framework called THOR is transforming how scientists calculate the behavior of atoms inside materials. Instead of ...
Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...
Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...
Machine learning interatomic potentials (MLIPs) have become an essential tool to enable long-time scale simulations of materials and molecules at unprecedented accuracies. The aim of this collection ...
Northwestern Engineering’s Chris Wolverton has been named a fellow of the Materials Research Society for his pioneering work in computational materials science for materials design and discovery, ...
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Scientists develop computational method to accelerate discovery of sunlight-to-fuel materials
Scientists unlock computational method to speed up search for materials capable of turning sunlight into fuel ...
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