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Year | Number of Results |
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2020 | 1 |
2021 | 2 |
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2023 | 3 |
2024 | 0 |
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Page 1
Principles of isomer stability in small clusters.
Mater Adv. 2023 Feb 28;4(7):1746-1768. doi: 10.1039/d2ma01088g. eCollection 2023 Apr 3.
Mater Adv. 2023.
PMID: 37026041
Free PMC article.
General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer.
Ko TW, Finkler JA, Goedecker S, Behler J.
Ko TW, et al. Among authors: finkler ja.
Acc Chem Res. 2021 Feb 16;54(4):808-817. doi: 10.1021/acs.accounts.0c00689. Epub 2021 Jan 29.
Acc Chem Res. 2021.
PMID: 33513012
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Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding.
Ko TW, Finkler JA, Goedecker S, Behler J.
Ko TW, et al. Among authors: finkler ja.
J Chem Theory Comput. 2023 Jun 27;19(12):3567-3579. doi: 10.1021/acs.jctc.2c01146. Epub 2023 Jun 8.
J Chem Theory Comput. 2023.
PMID: 37289440
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A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer.
Ko TW, Finkler JA, Goedecker S, Behler J.
Ko TW, et al. Among authors: finkler ja.
Nat Commun. 2021 Jan 15;12(1):398. doi: 10.1038/s41467-020-20427-2.
Nat Commun. 2021.
PMID: 33452239
Free PMC article.
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Experimental absence of the non-perovskite ground state phases of MaPbI3 explained by a Funnel Hopping Monte Carlo study based on a neural network potential.
Finkler JA, Goedecker S.
Finkler JA, et al.
Mater Adv. 2022 Nov 17;4(1):184-194. doi: 10.1039/d2ma00958g. eCollection 2023 Jan 4.
Mater Adv. 2022.
PMID: 36685989
Free PMC article.
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Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicity.
Finkler JA, Goedecker S.
Finkler JA, et al.
J Chem Phys. 2020 Apr 30;152(16):164106. doi: 10.1063/5.0004106.
J Chem Phys. 2020.
PMID: 32357793
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