Jacob Kongsted
Affiliations: | Department of Physics, Chemistry and Pharmacy | University of Southern Denmark, Odense, Denmark |
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Children
Sign in to add trainee| Erik Hedegaard | grad student | Lund University | |
| Jógvan Magnus Haugaard Olsen | grad student | 2009-2012 | University of Southern Denmark (Chemistry Tree) |
| Casper Steinmann | post-doc | 2013-2015 | (Chemistry Tree) |
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Publications
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| Reinholdt P, Kjellgren ER, Fuglsbjerg JH, et al. (2024) Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer. Journal of Chemical Theory and Computation. 20: 3729-3740 |
| Van den Heuvel W, Reinholdt P, Kongsted J. (2023) Embedding Beyond Electrostatics: The Extended Polarizable Density Embedding Model. The Journal of Physical Chemistry. B. 127: 3248-3256 |
| Jørgensen FK, Reinholdt P, Hedegård ED, et al. (2022) Nuclear Magnetic Shielding Constants with the Polarizable Density Embedding Model. Journal of Chemical Theory and Computation |
| Van den Heuvel W, Reinholdt P, Jensen HJA, et al. (2022) Multiconfigurational SCF and Short-Range DFT Combined with Polarizable Density Embedding: Comparison of Linear-Response and State-Specific Solvatochromic Shifts of Acrolein and -nitrophenolate in Water. Journal of Chemical Theory and Computation |
| Dundas KOHM, Beerepoot MTP, Ringholm M, et al. (2021) Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model. Journal of Chemical Theory and Computation |
| Reinholdt P, Jørgensen FK, Kongsted J, et al. (2020) Polarizable Density Embedding for Large Biomolecular Systems. Journal of Chemical Theory and Computation |
| Hornum M, Reinholdt P, Zaręba JK, et al. (2020) One- and two-photon solvatochromism of the fluorescent dye Nile Red and its CF, F and Br-substituted analogues. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology |
| Marefat Khah A, Reinholdt P, Nuernberger P, et al. (2020) Relaxation Dynamics of the Triazene Compound Berenil in DNA-Minor-Groove Confinement After Photo-Excitation. Journal of Chemical Theory and Computation |
| Olsen JMH, Reine S, Vahtras O, et al. (2020) Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. The Journal of Chemical Physics. 152: 214115 |
| Moesgaard L, Reinholdt P, Wüstner D, et al. (2020) Modeling the sterol-binding domain of Aster-A provides insight into its multi-ligand specificity. Journal of Chemical Information and Modeling |