249 citations · 253 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 249 cited
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…
cond-mat.mtrl-sci2021★ 4 cited
Comparison of the Tetrahedron Method to Smearing Methods for the Electronic Density of States
M. Y. Toriyama, A. M. Ganose, M. Dylla +7
The electronic density of states (DOS) highlights fundamental properties of materials that oftentimes dictate their properties, such as the band gap and Van Hove singularities. In…