Finkler JA - Search Results

1

Principles of isomer stability in small clusters.

Fisicaro G, Schaefer B, Finkler JA, Goedecker S. Fisicaro G, et al. Among authors: finkler ja. 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.

2

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

3

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.

4

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

5

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.

6

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

7

Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration.

Gubler M, Finkler JA, Schäfer MR, Behler J, Goedecker S. Gubler M, et al. Among authors: finkler ja. J Chem Theory Comput. 2024 Aug 16;20(16):7264-71. doi: 10.1021/acs.jctc.4c00334. Online ahead of print. J Chem Theory Comput. 2024. PMID: 39151921 Free PMC article.

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