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Works (12)

Iterative charge equilibration for fourth-generation high-dimensional neural network potentials

The Journal of Chemical Physics
2025-03-28 | Journal article
DOI: 10.1063/5.0252566
Contributors: Emir Kocer; Andreas Singraber; Jonas A. Finkler; Philipp Misof; Tsz Wai Ko; Christoph Dellago; Jörg Behler
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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

Materials Advances
2023 | Journal article
DOI: 10.1039/D2MA00958G
Contributors: Jonas A. Finkler; Stefan Goedecker
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Principles of isomer stability in small clusters

Materials Advances
2023 | Journal article
DOI: 10.1039/D2MA01088G
Contributors: Giuseppe Fisicaro; Bastian Schaefer; Jonas A. Finkler; Stefan Goedecker
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Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding

Journal of Chemical Theory and Computation
2023-06-27 | Journal article
DOI: 10.1021/acs.jctc.2c01146
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Tsz Wai Ko; Jonas A. Finkler; Stefan Goedecker; Jörg Behler
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Jonas A. Finkler

CENT2: Improved charge equilibration via neural network technique

Physical Review B
2022-04-21 | Journal article
DOI: 10.1103/PhysRevB.105.144106
Contributors: Ehsan Rahmatizad Khajehpasha; Jonas A. Finkler; Thomas D. Kühne; S. Alireza Ghasemi
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General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer

Accounts of Chemical Research
2021 | Journal article
DOI: 10.1021/ACS.ACCOUNTS.0C00689
WOSUID: WOS:000620925900007
Contributors: Ko, Tsz Wai; Finkler, Jonas A.; Goedecker, Stefan; Behler, Joerg
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Fingerprint-Based Detection of Non-Local Effects in the Electronic Structure of a Simple Single Component Covalent System

Condensed Matter
2021-02-20 | Journal article
DOI: 10.3390/condmat6010009
Contributors: Behnam Parsaeifard; Deb Sankar De; Jonas A. Finkler; Stefan Goedecker
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A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer

Nature Communications
2021-01-15 | Journal article
DOI: 10.1038/s41467-020-20427-2
Contributors: Tsz Wai Ko; Jonas A. Finkler; Stefan Goedecker; Jörg Behler
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A Fourth-Generation High-Dimensional Neural Network Potential with Accurate Electrostatics Including Non-local Charge Transfer

ArXiv
2020 | Journal article
WOSUID: PPRN:48350876
Contributors: Ko, Tsz Wai; Finkler, Jonas A.; Goedecker, Stefan; Behler, Jörg
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Detecting non-local effects in the electronic structure of a simple covalent system with machine learning methods

ArXiv
2020 | Journal article
WOSUID: PPRN:13141731
Contributors: Parsaeifard, Behnam; A. Finkler, Jonas; Goedecker, Stefan
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Funnel Hopping Monte Carlo: An efficient method to overcome broken ergodicity

ArXiv
2020 | Journal article
WOSUID: PPRN:14766393
Contributors: A. Finkler, Jonas; Goedecker, Stefan
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Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicity

The Journal of Chemical Physics
2020-04-30 | Journal article
DOI: 10.1063/5.0004106
Contributors: Jonas A. Finkler; Stefan Goedecker
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Peer review (3 reviews for 2 publications/grants)

Review activity for Journal of chemical physics. (1)
Review activity for Physical chemistry chemical physics. (2)
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