Publications

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, 2020, 152, 21, 214115


Peter Reinholdt, Erik Rosendahl Kjellgren, Casper Steinmann, Jógvan Magnus Haugaard Olsen, Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments, 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, 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, 2019, 151, 12, 124113.


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.