Jacob Kongsted

University of Southern Denmark — Denmark

Physics and Astronomy · Physical Sciences

58h-index12.3kcitations380works3.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(141), Advanced Chemical Physics Studies(84), Photochemistry and Electron Transfer Studies(70), Molecular spectroscopy and chirality(54), Lipid Membrane Structure and Behavior(29)

Publications380 total

Rapid Parallel Virtual Screening Aids the Discovery of Novel P-Glycoprotein Inhibitors
Journal of Chemical Information and Modeling·2026
Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response
Journal of Chemical Theory and Computation·2026Open Access
The orientation of cholesterol’s hydroxyl group affects its membrane dynamics and intracellular transport
2026Open Access
Correction: Stapled histone H3 tails are super-substrates for lysine methyltransferase SETD7
Chemical Science·2026Open Access
Linear Response Selected Configuration Interaction
Journal of Chemical Theory and Computation·2025· 1 cited
Stapled histone H3 tails are super-substrates for lysine methyltransferase SETD7
Chemical Science·2025Open Access
Cost-effective scalable quantum error mitigation for tiled Ansätze
arXiv (Cornell University)·2025Open Access
Activation Mechanism of Jumping Spider Rhodopsin-1 Revealed by Classical Molecular Dynamics
The Journal of Physical Chemistry B·2025
Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework
arXiv (Cornell University)·2025Open Access
Activation Mechanism of Jumping Spider Rhodopsin-1 Revealed by Classical Molecular Dynamics
2025
Exact closed-form expressions for unitary spin-adapted fermionic singlet double excitation operators
The Journal of Chemical Physics·2025Open Access
Redundant parameter dependencies in conventional and quantum linear response and equation of motion theory for unitary parameterized wave functions
The Journal of Chemical Physics·2025· 1 citedOpen Access
Hyperfine Coupling Constants on Quantum Computers: Performance, Errors, and Future Prospects
Journal of Chemical Theory and Computation·2025· 1 citedOpen Access
Reduced density matrix and cumulant approximations of quantum linear response
ArXiv.org·2025Open Access
Critical Limitations in Quantum-Selected Configuration Interaction Methods
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Redundant parameter dependencies in truncated classic and quantum Linear Response and Equation of Motion theory
arXiv (Cornell University)·2025Open Access
Exact closed-form expression for unitary spin-adapted fermionic singlet double excitation operators
arXiv (Cornell University)·2025Open Access
Exact Two-Component Relativistic Polarizable Density Embedding
Journal of Chemical Theory and Computation·2025Open Access
Fluorescent Rhodopsins: A Challenging Test for Cost-Effective QM/MM Approaches
The Journal of Physical Chemistry A·2025· 4 citedOpen Access
Self-consistent Quantum Linear Response with a Polarizable Embedding Environment
The Journal of Physical Chemistry A·2025· 3 citedOpen Access
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Frequent Co-authors

Kurt V. Mikkelsen(20), Ove Christiansen(19), Jógvan Magnus Haugaard Olsen(13), Anders Osted(11), Kęstutis Aidas(8), Kenneth Ruud(8), Stephan P. A. Sauer(6), Nanna Holmgaard List(6), Hans Jørgen Aa. Jensen(5), Thomas Bondo Pedersen(5), Žilvinas Rinkevičius(5), Kristian Sneskov(5), Luca Frediani(4), Stefan Knecht(4), Christian B. Nielsen(4), Arnfinn Hykkerud Steindal(4), Benedetta Mennucci(4), Tobias Schwabe(4), Sonia Coriani(3), Christof Hättig(3)