Research output per year
Research output per year
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Dive into the research topics where Erik Kjellgren is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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Divergences in classical and quantum linear response and equation of motion formulations
Kjellgren, E. R., Reinholdt, P., Ziems, K. M., Sauer, S. P. A., Coriani, S. & Kongsted, J., 28. Sept 2024, In: The Journal of Chemical Physics. 161, 12, 9 p., 124112 .Research output: Contribution to journal › Journal article › Research › peer-review
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Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
Nagy, D., Reinholdt, P., Jensen, P. W. K., Kjellgren, E. R., Ziems, K. M., Fitzpatrick, A., Knecht, S., Kongsted, J., Coriani, S. & Sauer, S. P. A., 17. Jul 2024, In: Journal of Physical Chemistry A. 128, 30, p. 6305–6315Research output: Contribution to journal › Journal article › Research › peer-review
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GPU-accelerated Higher Representations of Wilson Fermions with HiRep
Martins, S., Kjellgren, E., Molinaro, E., Pica, C. & Rago, A., 4. Jun 2024, In: Proceedings of Science. 451, 12 p., 035.Research output: Contribution to journal › Conference article › Research › peer-review
Open Access -
Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
Jensen, P. W. K., Kjellgren, E. R., Reinholdt, P., Ziems, K. M., Coriani, S., Kongsted, J. & Sauer, S. P. A., 14. May 2024, In: Journal of Chemical theory and Computation. 20, 9, p. 3613-3625Research output: Contribution to journal › Journal article › Research › peer-review
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Reduced Density Matrix Formulation of Quantum Linear Response
von Buchwald, T. J., Ziems, K. M., Kjellgren, E. R., Sauer, S. P. A., Kongsted, J. & Coriani, S., 6. Aug 2024, (E-pub ahead of print) In: Journal of Chemical theory and Computation.Research output: Contribution to journal › Journal article › Research › peer-review
Datasets
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MC--srDFT spin-spin coupling constants input files for Dalton
Kjellgren, E. (Creator), Zenodo, 4. Jun 2021
DOI: 10.5281/zenodo.4899982, https://zenodo.org/record/4899982
Dataset
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MM-MD and QM/MM-MD trajectories of para-nitrophenolate derivatives in aqueous solution
Kjellgren, E. (Creator), Zenodo, 7. Nov 2017
Dataset