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The Journal of Chemical Physics|July 2, 2018
Machine learning of molecular properties: Locality and active learningKonstantin Gubaev, Evgeny V Podryabinkin, Alexander V ShapeevScientific 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.Pageof 1