equivariant neural networks 1foundation models 1machine-learned interatomic potentials 1materials discovery 1thermal conductivity prediction 1
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cond-mat.mtrl-sci2025
Exploring Charge Density Waves in two-dimensional NbSe2 with Machine Learning
Norma Rivano, Francesco Libbi, Chuin Wei Tan +8
Niobium diselenide (NbSe) has garnered significant attention due to the coexistence of superconductivity and charge density waves (CDWs) down to the monolayer limit. However, r…
cond-mat.mtrl-sci2024
Unified Differentiable Learning of Electric Response
Stefano Falletta, Andrea Cepellotti, Anders Johansson +4
Predicting response of materials to external stimuli is a primary objective of computational materials science. However, current methods are limited to small-scale simulations due…