Jonas A. Finkler

Aalborg University — Denmark

Materials Science · Physical Sciences

8h-index748citations26works3.42yr avg
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Research Topics

Machine Learning in Materials Science(17), Advanced Chemical Physics Studies(9), Computational Drug Discovery Methods(3), Spectroscopy and Quantum Chemical Studies(3), Electron and X-Ray Spectroscopy Techniques(3)

Publications26 total

Selective Mineral Recovery from Seawater by Ion-Exchangeable Metal–Organic Framework Glasses
Journal of the American Chemical Society·2026Open Access
Selective mineral recovery from seawater by ion-exchangeable metal-organic framework glasses
2025Open Access
Selective mineral recovery from seawater by metal-organic framework glasses
2025Open Access
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
The Journal of Chemical Physics·2025· 7 cited
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
arXiv (Cornell University)·2025Open Access
Implications of the multi-minima character of molecular crystal phases onto the free energy
arXiv (Cornell University)·2025Open Access
Noise-Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based Methods
The Journal of Physical Chemistry A·2025· 3 citedOpen Access
Noise Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based Methods
arXiv (Cornell University)·2024Open Access
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration
Journal of Chemical Theory and Computation·2024· 19 citedOpen Access
Entropic stabilization of a structurally tolerant phase: The ionic phase of lithium alanate
Research Square (Research Square)·2024Open Access
Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE) [SoftwareX 25 (2024) 101632]
SoftwareX·2024Open Access
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
SoftwareX·2024· 12 citedOpen Access
The ternary phase diagram of nitrogen doped lutetium hydrides can not explain its claimed high T<sub>c</sub> superconductivity
New Journal of Physics·2023· 2 citedOpen Access
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
arXiv (Cornell University)·2023Open Access
Ternary Phase Diagram of Nitrogen Doped Lutetium Hydrides
arXiv (Cornell University)·2023· 3 citedOpen Access
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
Journal of Chemical Theory and Computation·2023· 45 citedOpen Access
Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding
arXiv (Cornell University)·2023· 2 citedOpen Access
Principles of isomer stability in small clusters
Materials Advances·2023· 4 citedOpen Access
Experimental absence of the non-perovskite ground state phases of MaPbI<sub>3</sub>explained by a Funnel Hopping Monte Carlo study based on a neural network potential
Materials Advances·2022· 8 citedOpen Access
CENT2: Improved charge equilibration via neural network technique
Physical review. B./Physical review. B·2022· 22 cited
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Frequent Co-authors

Stefan Goedecker(20), Jörg Behler(8), Tsz Wai Ko(7), Marco Krummenacher(7), Moritz Gubler(5), Moritz Gubler(4), Hannes Huber(4), Martin Sommer-Jörgensen(4), Behnam Parsaeifard(3), Samraj Mollick(3), Carmelo Morgante(3), Randall E. Youngman(3), Anders B. Nielsen(3), Ronghui Lu(3), Morten Johansen(3), Martin A. Karlsen(3), Nina Lock(3), Morten M. Smedskjær(3), Ehsan Rahmatizad Khajehpasha(2), Emir Kocer(2)