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Jonas A Finkler
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A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
TW Ko, JA Finkler, S Goedecker, J Behler
Nature communications 12 (1), 398, 2021
3402021
General-purpose machine learning potentials capturing nonlocal charge transfer
TW Ko, JA Finkler, S Goedecker, J Behler
Accounts of Chemical Research 54 (4), 808-817, 2021
922021
Accurate fourth-generation machine learning potentials by electrostatic embedding
TW Ko, JA Finkler, S Goedecker, J Behler
Journal of Chemical Theory and Computation 19 (12), 3567-3579, 2023
192023
Fingerprint-based detection of non-local effects in the electronic structure of a simple single component covalent system
B Parsaeifard, DS De, JA Finkler, S Goedecker
Condensed Matter 6 (1), 9, 2021
15*2021
CENT2: Improved charge equilibration via neural network technique
ER Khajehpasha, JA Finkler, TD Kühne, SA Ghasemi
Physical Review B 105 (14), 144106, 2022
132022
Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicity
JA Finkler, S Goedecker
The Journal of chemical physics 152 (16), 2020
92020
The ternary phase diagram of nitrogen doped lutetium hydrides can not explain its claimed high TC superconductivity
M Gubler, M Krummenacher, JA Finkler, JA Flores-Livas, S Goedecker
New Journal of Physics 25 (12), 123008, 2023
6*2023
Experimental absence of the non-perovskite ground state phases of MaPbI 3 explained by a Funnel Hopping Monte Carlo study based on a neural network potential
JA Finkler, S Goedecker
Materials Advances 4 (1), 184-194, 2023
62023
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
M Krummenacher, M Gubler, JA Finkler, H Huber, M Sommer-Jörgensen, ...
SoftwareX 25, 101632, 2024
32024
Principles of isomer stability in small clusters
G Fisicaro, B Schaefer, JA Finkler, S Goedecker
Materials Advances 4 (7), 1746-1768, 2023
12023
Entropic stabilization of a structurally tolerant phase: The ionic phase of lithium alanate
M Krummenacher, O Tayfuroglu, J Finkler, H Huber, S Goedecker
2024
Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE)[SoftwareX 25 (2024) 101632]
M Krummenacher, M Gubler, JA Finkler, H Huber, M Sommer-Jörgensen, ...
SoftwareX 26, 2024
2024
Accelerating fourth-generation machine learning potentials by quasi-linear scaling particle mesh charge equilibration
M Gubler, JA Finkler, MR Schäfer, J Behler, S Goedecker
arXiv preprint arXiv:2403.02155, 2024
2024
Machine Learning in Atomistic Simulations: Enabling the Description of Charge Transfer Effects and Sampling Multi Funnel Systems with Global Monte Carlo Moves
JA Finkler
University of Basel, 2023
2023
Funnel Hopping Monte Carlo: Efficient Monte Carlo simulations for multi-funnel systems
J Finkler, SA Goedecker
APS March Meeting Abstracts 2022, Z49. 011, 2022
2022
A Fourth-Generation High-Dimensional Neural Network Potential with Accurate Electrostatics Including Non-local Charge Transfer
J Finkler, T Ko, SA Goedecker, J Behler
APS March Meeting Abstracts 2021, B22. 006, 2021
2021
Investigation of global charge distributions for constructing non-local machine learning potentials
TW Ko, J Finkler, SA Goedecker, J Behler
APS March Meeting Abstracts 2021, P22. 010, 2021
2021
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Articles 1–17