Kavli Affiliate: Kristin Persson | 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 force fields have transformed atomistic modeling by enabling simulations of ab initio […]
Continue.. A foundation model for atomistic materials chemistry