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Npj Computational Materials|July 29, 2024
Ab initio framework for deciphering trade-off relationships in multi-component alloysFranco Moitzi, Lorenz Romaner, Andrei V Ruban, et al.
The Journal of Chemical Physics|February 12, 2026
Incorporating Coulomb interactions with fixed charges in moment tensor potentials and equivariant tensor network potentialsDmitry Korogod, Olga Chalykh, Max Hodapp, et al.
The Journal of Chemical Physics|October 2, 2025
Moment tensor potential and equivariant tensor network potential with explicit dispersion interactionsOlga Chalykh, Dmitry Korogod, Ivan S Novikov, et al.
Scientific Reports|November 13, 2023
Constrained DFT-based magnetic machine-learning potentials for magnetic alloys: a case study of Fe-AlAlexey S Kotykhov, Konstantin Gubaev, Max Hodapp, et al.
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