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cond-mat.mtrl-sci2026
Learning the Geometry of Materials Space with Trained Neural Tangent Kernels
Daniel Kaplan, Gabriel Kotliar, Anirvan M Sengupta
Neural networks trained to predict materials properties learn representations whose physical content can be difficult to extract. We use the neural tangent kernel (NTK), evaluated…
cond-mat.mtrl-sci2024
Tetragonal BaCoO: A Co Ferromagnetic Mott Insulator with Inverted Spin Crossover
Mingyu Xu, Haozhe Wang, Krishna Prasad Koirala +13
The interplay between crystal electric field splitting of d states and Hund's rule exchange energy in cobalt-based perovskites offers a promising avenue for inducing spin-state tra…