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Atomistic structure search using local surrogate model.
J Chem Phys. 2022 Nov 7;157(17):174115. doi: 10.1063/5.0121748.
J Chem Phys. 2022.
PMID: 36347689
Structure of an Ultrathin Oxide on Pt3Sn(111) Solved by Machine Learning Enhanced Global Optimization.
Merte LR, Bisbo MK, Sokolović I, Setvín M, Hagman B, Shipilin M, Schmid M, Diebold U, Lundgren E, Hammer B.
Merte LR, et al. Among authors: bisbo mk.
Angew Chem Weinheim Bergstr Ger. 2022 Jun 20;134(25):e202204244. doi: 10.1002/ange.202204244. Epub 2022 Apr 21.
Angew Chem Weinheim Bergstr Ger. 2022.
PMID: 38505419
Free PMC article.
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Structure of an Ultrathin Oxide on Pt3 Sn(111) Solved by Machine Learning Enhanced Global Optimization.
Merte LR, Bisbo MK, Sokolović I, Setvín M, Hagman B, Shipilin M, Schmid M, Diebold U, Lundgren E, Hammer B.
Merte LR, et al. Among authors: bisbo mk.
Angew Chem Int Ed Engl. 2022 Jun 20;61(25):e202204244. doi: 10.1002/anie.202204244. Epub 2022 Apr 29.
Angew Chem Int Ed Engl. 2022.
PMID: 35384213
Free PMC article.
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Efficient Global Structure Optimization with a Machine-Learned Surrogate Model.
Bisbo MK, Hammer B.
Bisbo MK, et al.
Phys Rev Lett. 2020 Feb 28;124(8):086102. doi: 10.1103/PhysRevLett.124.086102.
Phys Rev Lett. 2020.
PMID: 32167316
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