Kavli Affiliate: Kristin A. Persson | First 5 Authors: Ilyes Batatia, Ilyes Batatia, , , | Summary: Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned […]
Continue.. A foundation model for atomistic materials chemistry