equivariant neural networks 1foundation models 1machine-learned interatomic potentials 1materials discovery 1thermal conductivity prediction 1
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cond-mat.mtrl-sci2025
Quantum theory of nonlinear phononics
Francesco Libbi, Boris Kozinsky
The recent capability to use THz pulses to control the nuclear quantum degrees of freedom in crystals has opened promising avenues for the advanced manipulation of material propert…
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…