596 citations · 1.3k across the 9 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 2 cited
Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials
Janosh Riebesell, T. Wesley Surta, Rhys Goodall +2
Materials with high-dielectric constant easily polarize under external electric fields, allowing them to perform essential functions in many modern electronic devices. Their practi…
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…