2 papers
cond-mat.mtrl-sci2026
Equivariant Many-body Message Passing Interatomic Potentials for Magnetic Materials
Cheuk Hin Ho, Cas van der Oord, James P. Darby +11
Magnetism governs key properties of materials used in energy, data storage, and spintronic technologies, yet its complex coupling to lattice and electronic degrees of freedom chall…
physics.chem-ph2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang +85
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…