Scientific Output
Citation count as defined by https://www.semanticscholar.org/
Talks
SQC25 - 2nd Annual DQC Scientific Quantum Conference (invited talk), Enabling Quantum Chemistry Using Quantum Computers, dqc_presentation.pdf
SCQC 2024 - Scandinavian Community for Quantum Chemistry (invited talk), Quantum Computing for Quantum Chemists, scqc_presentation.pdf
Peer-reviewed publications
Peter Reinholdt, Erik Kjellgren, Karl Michael Ziems, Sonia Coriani, Stephan PA Sauer, Jacob Kongsted, Self-consistent Quantum Linear Response with a Polarizable Embedding Environment, The Journal of Physical Chemistry A, 2025.
Frederik Kamper Jørgensen, Erik Rosendahl Kjellgren, Hans Jørgen Aagaard Jensen, Erik Donovan Hedegård, Multiconfigurational short-range on-top pair-density functional theory, The Journal of Chemical Physics, 2025, 162 (3).
Karl Michael Ziems, Erik Rosendahl Kjellgren, Stephan PA Sauer, Jacob Kongsted, Sonia Coriani, Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers, Chemical Science, 2025.
Erik Rosendahl Kjellgren, Peter Reinholdt, Karl Michael Ziems, Stephan Sauer, Sonia Coriani, Jacob Kongsted, Divergences in classical and quantum linear response and equation of motion formulations, The Journal of Chemical Physics, 2024, 161 (12).
Theo Juncker von Buchwald, Karl Michael Ziems, Erik Rosendahl Kjellgren, Stephan PA Sauer, Jacob Kongsted, Sonia Coriani, Reduced Density Matrix Formulation of Quantum Linear Response, Journal of Chemical Theory and Computation, 2024, 20 (16), 7093-7101.
Dániel Nagy, Peter Reinholdt, Phillip WK Jensen, Erik Rosendahl Kjellgren, Karl Michael Ziems, Aaron Fitzpatrick, Stefan Knecht, Jacob Kongsted, Sonia Coriani, Stephan PA Sauer, Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators, The Journal of Physical Chemistry A, 2024, 128 (30), 6305-6315.
Phillip WK Jensen, Erik Rosendahl Kjellgren, Peter Reinholdt, Karl Michael Ziems, Sonia Coriani, Jacob Kongsted, Stephan PA Sauer, Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing, Journal of Chemical Theory and Computation, 2024, 20 (9), 3613-3625.
Peter Reinholdt, Erik Rosendahl Kjellgren, Juliane Holst Fuglsbjerg, Karl Michael Ziems, Sonia Coriani, Stephan PA Sauer, Jacob Kongsted, Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer, Journal of Chemical Theory and Computation, 2024, 20 (9), 3729-3740.
Karl Michael Ziems, Erik Rosendahl Kjellgren, Peter Reinholdt, Phillip WK Jensen, Stephan PA Sauer, Jacob Kongsted, Sonia Coriani, Which Options Exist for NISQ-Friendly Linear Response Formulations?, Journal of Chemical Theory and Computation, 2024, 20 (9), 3551-3565.
Erik Rosendahl Kjellgren, Peter Reinholdt, Aaron Fitzpatrick, Walter N Talarico, Phillip WK Jensen, Stephan Sauer, Sonia Coriani, Stefan Knecht, Jacob Kongsted, The variational quantum eigensolver self-consistent field method within a polarizable embedded framework, The Journal of Chemical Physics, 2024, 160 (12).
Frederik Kamper Jørgensen, Erik Rosendahl Kjellgren, Hans Jørgen Aagaard Jensen, Erik Donovan Hedegård, Multiconfigurational short-range density functional theory for nuclear magnetic resonance shielding constants with gauge-including atomic orbitals, The Journal of Chemical Physics, 2022, 157 (16).
Erik Rosendahl Kjellgren, Hans Jørgen Aagaard Jensen, Multi-configurational short-range density functional theory can describe spin–spin coupling constants of transition metal complexes, The Journal of Chemical Physics, 2021, 155 (8).
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, Erik Kjellgren, Peter Reinholdt, Karen Oda Hjorth Dundas, Xin Li, Janusz Cukras, Magnus Ringholm, Erik D Hedegård, Roberto Di Remigio, Nanna H List, Rasmus Faber, Bruno Nunes Cabral Tenorio, Radovan Bast, Thomas Bondo Pedersen, Zilvinas Rinkevicius, Stephan PA Sauer, Kurt V Mikkelsen, Jacob Kongsted, Sonia Coriani, Kenneth Ruud, Trygve Helgaker, Hans Jørgen Aa Jensen, Patrick Norman, Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems, The Journal of Chemical Physics, 2020, 152 (21).
Peter Reinholdt, Erik Rosendahl Kjellgren, Casper Steinmann, Jógvan Magnus Haugaard Olsen, Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments, Journal of Chemical Theory and Computation, 2019, 16 (2), 1162-1174.
Maximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted, CPPE: An Open-Source C++ and Python Library for Polarizable Embedding, Journal of Chemical Theory and Computation, 2019, 15 (11), 6154-6163.
Erik Rosendahl Kjellgren, Erik Donovan Hedegård, Hans Jørgen Aagaard Jensen, Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations, The Journal of Chemical Physics, 2019, 151 (12).
Erik Rosendahl Kjellgren, Jógvan Magnus Haugaard Olsen, Jacob Kongsted, Importance of Accurate Structures for Quantum Chemistry Embedding Methods: Which Strategy Is Better?, Journal of chemical theory and computation, 2018, 14 (8), 4309-4319.
Erik Rosendahl Kjellgren, Oliver Emil Skytte Glue, Peter Reinholdt, Julie Egeskov Meyer, Jacob Kongsted, Vasanthanathan Poongavanam, A comparative study of binding affinities for 6, 7-dimethoxy-4-pyrrolidylquinazolines as phosphodiesterase 10A inhibitors using the linear interaction energy method, Journal of Molecular Graphics and Modelling, 2015, 61, 44–52.
Posters
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