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Robustness of Local Predictions in Atomistic Machine Learning Models.
Chong S, Grasselli F, Ben Mahmoud C, Morrow JD, Deringer VL, Ceriotti M. Chong S, et al. Among authors: deringer vl. J Chem Theory Comput. 2023 Nov 28;19(22):8020-8031. doi: 10.1021/acs.jctc.3c00704. Epub 2023 Nov 10. J Chem Theory Comput. 2023. PMID: 37948446 Free PMC article.
Machine-learned acceleration for molecular dynamics in CASTEP.
Stenczel TK, El-Machachi Z, Liepuoniute G, Morrow JD, Bartók AP, Probert MIJ, Csányi G, Deringer VL. Stenczel TK, et al. Among authors: deringer vl. J Chem Phys. 2023 Jul 28;159(4):044803. doi: 10.1063/5.0155621. J Chem Phys. 2023. PMID: 37497818
Spin Glass Behavior in Amorphous Cr2 Ge2 Te6 Phase-Change Alloy.
Wang X, Sun S, Wang JJ, Li S, Zhou J, Aktas O, Xu M, Deringer VL, Mazzarello R, Ma E, Zhang W. Wang X, et al. Among authors: deringer vl. Adv Sci (Weinh). 2023 Aug;10(23):e2302444. doi: 10.1002/advs.202302444. Epub 2023 Jun 6. Adv Sci (Weinh). 2023. PMID: 37279377 Free PMC article.
79 results