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Diffusion and Coalescence of Phosphorene Monovacancies Studied Using High-Dimensional Neural Network Potentials.
J Phys Chem C Nanomater Interfaces. 2023 Dec 5;127(49):23743-23751. doi: 10.1021/acs.jpcc.3c05713. eCollection 2023 Dec 14.
J Phys Chem C Nanomater Interfaces. 2023.
PMID: 38115818
Free PMC article.
Optimizing the architecture of Behler-Parrinello neural network potentials.
Kývala L, Dellago C.
Kývala L, et al.
J Chem Phys. 2023 Sep 7;159(9):094105. doi: 10.1063/5.0167260.
J Chem Phys. 2023.
PMID: 37655764
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Crystal Structure and Magnetic Properties of Uranium Hydride UH2 Stabilized as a Thin Film.
Havela L, Paukov M, Dopita M, Horák L, Drozdenko D, Diviš M, Turek I, Legut D, Kývala L, Gouder T, Seibert A, Huber F.
Havela L, et al. Among authors: kyvala l.
Inorg Chem. 2018 Dec 3;57(23):14727-14732. doi: 10.1021/acs.inorgchem.8b02499. Epub 2018 Nov 14.
Inorg Chem. 2018.
PMID: 30427197
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