Frederik Ørsted Kjeldal

University of Copenhagen — Denmark

Physics and Astronomy · Physical Sciences

7h-index106citations25works0.82yr avg
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Research Topics

Advanced Chemical Physics Studies(8), Photochromic and Fluorescence Chemistry(5), Crystallization and Solubility Studies(5), Machine Learning in Materials Science(5), X-ray Diffraction in Crystallography(5)

Publications25 total

Modeling Structural and Optical Properties of 6,6,12-Graphyne Oligomer Fragments
The Journal of Physical Chemistry A·2025· 1 cited
Cluster perturbation theory. XII. Parallel implementation of variational excitation energy series for the coupled cluster singles and doubles model
The Journal of Chemical Physics·2025· 1 cited
Transferability of atom-based neural networks
Machine Learning Science and Technology·2024Open Access
Cluster perturbation theory. X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order
The Journal of Chemical Physics·2024· 2 citedOpen Access
Transferability of Atom-Based Neural Networks
arXiv (Cornell University)·2024Open Access
Properties of Local Electronic Structures
Journal of Chemical Theory and Computation·2023· 4 cited
Properties of Local Electronic Structures
arXiv (Cornell University)·2023Open Access
Decomposing Chemical Space: Applications to the Machine Learning of Atomic Energies
Journal of Chemical Theory and Computation·2023· 14 cited
Indirect nuclear spin–spin couplings with third-order contributions added to the SOPPA method
The Journal of Chemical Physics·2023· 6 citedOpen Access
QM7 Decomposed Data
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
QM7 Decomposed Data
2023Open Access
Decomposing Chemical Space: Applications to the Machine Learning of Atomic Energies
arXiv (Cornell University)·2022Open Access
Cluster perturbation theory. VIII. First order properties for a coupled cluster state
The Journal of Chemical Physics·2022· 12 cited
Electric Properties of Photochromic Molecules Physisorbed on Silver and Copper Nanoparticles
The Journal of Physical Chemistry A·2022· 1 cited
Cluster perturbation theory. VII. The convergence of cluster perturbation expansions
The Journal of Chemical Physics·2022· 13 cited
Cluster perturbation theory. VI. Ground-state energy series using the Lagrangian
The Journal of Chemical Physics·2022· 14 cited
Excited state dynamics and conjugation effects of the photoisomerization reactions of dihydroazulene
Physical Chemistry Chemical Physics·2022· 3 citedOpen Access
Optimization of the thermochemical properties of the norbornadiene/quadricyclane photochromic couple for solar energy storage using nanoparticles
Physical Chemistry Chemical Physics·2022· 9 cited
CCDC 2031654: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
CCDC 2031657: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
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Frequent Co-authors

Andreas Erbs Hillers‐Bendtsen(17), Kurt V. Mikkelsen(17), Nicolai Machholdt Høyer(13), Janus J. Eriksen(8), Alvis Mengots(6), Sandra Doria(6), Anne Ugleholdt Petersen(6), Mariangela Di Donato(6), Martina Cacciarini(6), Mogens Brøndsted Nielsen(6), Jeppe Olsen(5), Poul J. Jørgensen(5), Magnus Bukhave Johansen(2), Theo Juncker von Buchwald(2), Phillip Gustav Iuel Lunøe Dünweber(2), Lars Henrik Olsen(2), Javier Sanz Rodrigo(1), Stephan P. A. Sauer(1), Nicolai Ree(1), Eduard Matito(1)