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Photo: Thomas Frandsen / VILLUM FONDEN
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Department of Chemistry jogvan.m.olsen@uit.no TROM

Jógvan Magnus Haugaard Olsen


Adjunct Associate Professor, Theoretical and Computational Chemistry, Hylleraas Centre for Quantum Molecular Sciences


  • Dundas, Karen Oda Hjorth; Beerepoot, Maarten; Ringholm, Magnus; Reine, Simen Sommerfelt; Bast, Radovan; List, Nanna Holmgaard; Kongsted, Jacob; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard. Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model. Journal of Chemical Theory and Computation 2021; Volum 17 (6). ISSN 1549-9618.s 3599 - 3617.s doi: 10.1021/acs.jctc.0c01323.
  • Mroginski, Maria-Andrea; Adam, Suliman; Amoyal, Gil S.; Barnoy, Avishai; Bondar, Ana-Nicoleta; Borin, Veniamin A.; Church, Jonathan R.; Domratcheva, Tatiana; Ensing, Bernd; Fanelli, Francesca; Ferré, Nicolas; Filiba, Ofer; Pedraza-González, Laura; González, Ronald; González-Espinoza, Cristina E.; Kar, Rajiv K.; Kemmler, Lukas; Kim, Seung Soo; Kongsted, Jacob; Krylov, Anna I.; Lahav, Yigal; Lazaratos, Michalis; NasserEddin, Qays; Navizet, Isabelle; Nemukhin, Alexander; Olivucci, Massimo; Olsen, Jógvan Magnus Haugaard; Pérez de Alba Ortíz, Alberto; Pieri, Elisa; Rao, Aditya G.; Rhee, Young Min; Ricardi, Niccolò; Sen, Saumik; Solov'yov, Ilia A.; De Vico, Luca; Wesolowski, Tomasz A.; Wiebeler, Christian; Yang, Xuchun; Schapiro, Igor. Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and Photobiology 2021; Volum 97 (2). ISSN 0031-8655.s 243 - 269.s doi: 10.1111/php.13372.
  • Reinholdt, Peter; Jørgensen, Frederik Kamper; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard. Polarizable Density Embedding for Large Biomolecular Systems. Journal of Chemical Theory and Computation 2020; Volum 16. ISSN 1549-9618.s 5999 - 6006.s doi: 10.1021/acs.jctc.0c00763.
  • Capelli, Riccardo; Lyu, Wenping; Bolnykh, Viacheslav; Meloni, Simone; Olsen, Jógvan Magnus Haugaard; Rothlisberger, Ursula; Parrinello, Michele; Carloni, Paolo. Accuracy of Molecular Simulation-Based Predictions of koff Values: A Metadynamics Study. The Journal of Physical Chemistry Letters 2020; Volum 11 (15). ISSN 1948-7185.s 6373 - 6381.s doi: 10.1021/acs.jpclett.0c00999.
  • Bolnykh, Viacheslav; Olsen, Jógvan Magnus Haugaard; Meloni, Simone; Bircher, Martin P; Ippoliti, Emiliano; Carloni, Paolo; Rothlisberger, Ursula. MiMiC: Multiscale Modeling in Computational Chemistry. Frontiers in Molecular Biosciences 2020; Volum 7. ISSN 2296-889X.s doi: 10.3389/fmolb.2020.00045.
  • Rossano-Tapia, Maria; Olsen, Jógvan Magnus Haugaard; Brown, Alex. Two-Photon Absorption Cross-Sections in Fluorescent Proteins Containing Non-canonical Chromophores Using Polarizable QM/MM. Frontiers in Molecular Biosciences 2020; Volum 7. ISSN 2296-889X.s doi: 10.3389/fmolb.2020.00111.
  • Chiariello, Maria Gabriella; Bolnykh, Viacheslav; Ippoliti, Emiliano; Meloni, Simone; Olsen, Jógvan Magnus Haugaard; Beck, Thomas; Rothlisberger, Ursula; Fahlke, Christoph; Carloni, Paolo. Molecular Basis of CLC Antiporter Inhibition by Fluoride. Journal of the American Chemical Society 2020; Volum 142. ISSN 0002-7863.s 7254 - 7258.s doi: 10.1021/jacs.9b13588.
  • Saue, Trond; Bast, Radovan; Gomes, Andre Severo Pereira; Jensen, Hans-Jørgen Aa.; Visscher, Luuk; Aucar, Ignacio Agustín; Di Remigio, Roberto; Dyall, Kenneth G.; Eliav, Ephraim; Fasshauer, Elke; Fleig, Timo; Halbert, Loïc; Hedegård, Erik Donovan; Helmich-Paris, Benjamin; Ilias, Miroslav; Jacob, Christoph R.; Knecht, Stefan; Lærdahl, Jon Kristen; Vidal, Marta L; Nayak, Malaya K.; Olejniczak, Małgorzata; Olsen, Jógvan Magnus Haugaard; Pernpointner, Markus; Senjean, Bruno; Shee, Avijit; Sunaga, Ayaki; van Stralen, Joost N. P.. The DIRAC code for relativistic molecular calculations. Journal of Chemical Physics 2020; Volum 152 (20). ISSN 0021-9606.s doi: 10.1063/5.0004844.
  • Olsen, Jógvan Magnus Haugaard; Reine, Simen Sommerfelt; Vahtras, Olav; Kjellgren, Erik; Reinholdt, Peter; Dundas, Karen O.H; Li, Xin; Cukras, Janusz; Ringholm, Magnus; Hedegård, Erik Donovan; Di Remigio, Roberto; List, Nanna H.; Faber, Rasmus; Tenorio, Bruno Nunes Cabral; Bast, Radovan; Pedersen, Thomas Bondo; Rinkevicius, Zilvinas; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Kongsted, Jacob; Coriani, Sonia; Ruud, Kenneth; Helgaker, Trygve; Jensen, Hans Jørgen Aa.; Norman, Patrick. Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. (fulltekst) Journal of Chemical Physics 2020; Volum 152 (21). ISSN 0021-9606.s doi: 10.1063/1.5144298.
  • Marefat Khah, Alireza; Reinholdt, Peter; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob; Hattig, Christof. Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials. Journal of Chemical Theory and Computation 2020; Volum 16 (3). ISSN 1549-9618.s 1373 - 1381.s doi: 10.1021/acs.jctc.9b01162.
  • Reinholdt, Peter; Kjellgren, Erik Rosendahl; Steinmann, Casper; Olsen, Jógvan Magnus Haugaard. Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments. (data) Journal of Chemical Theory and Computation 2020; Volum 16. ISSN 1549-9618.s 1162 - 1174.s doi: 10.1021/acs.jctc.9b00616.
  • Olsen, Jógvan Magnus Haugaard; Bolnykh, Viacheslav; Meloni, Simone; Ippoliti, Emiliano; Bircher, Martin Peter; Carloni, Paolo; Rothlisberger, Ursula. MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry. (data) Journal of Chemical Theory and Computation 2019; Volum 15 (6). ISSN 1549-9618.s 3810 - 3823.s doi: 10.1021/acs.jctc.9b00093.
  • Steinmann, Casper; Reinholdt, Peter; Nørby, Morten Steen; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard. Response properties of embedded molecules through the polarizable embedding model. (data) International Journal of Quantum Chemistry 2019; Volum 119. ISSN 0020-7608.s doi: 10.1002/qua.25717.
  • Scheurer, Maximilian; Reinholdt, Peter; Kjellgren, Erik Rosendahl; Olsen, Jógvan Magnus Haugaard; Dreuw, Andreas; Kongsted, Jacob. CPPE: An Open-Source C++ and Python Library for Polarizable Embedding. Journal of Chemical Theory and Computation 2019; Volum 15 (11). ISSN 1549-9618.s 6154 - 6163.s doi: 10.1021/acs.jctc.9b00758.
  • Bolnykh, Viacheslav; Olsen, Jógvan Magnus Haugaard; Meloni, Simone; Bircher, Martin Peter; Ippoliti, Emiliano; Carloni, Paolo; Rothlisberger, Ursula. Extreme Scalability of DFT-based QM/MM MD Simulations Using MiMiC. Journal of Chemical Theory and Computation 2019; Volum 15 (10). ISSN 1549-9618.s 5601 - 5613.s doi: 10.1021/acs.jctc.9b00424.
  • Scheurer, Maximilian; Herbst, Michael; Reinholdt, Peter; Olsen, Jogvan Magnus Haugaard; Dreuw, Andreas; Kongsted, Jacob. Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems. Journal of Chemical Theory and Computation 2018; Volum 14 (9). ISSN 1549-9618.s 4870 - 4883.s doi: 10.1021/acs.jctc.8b00576.
  • Kjellgren, Erik Rosendahl; Olsen, Jogvan Magnus Haugaard; Kongsted, Jacob. Importance of Accurate Structures for Quantum Chemistry Embedding Methods: Which Strategy Is Better?. Journal of Chemical Theory and Computation 2018; Volum 14 (8). ISSN 1549-9618.s 4309 - 4319.s doi: 10.1021/acs.jctc.8b00202.
  • Olsen, Jógvan Magnus Haugaard. Parallel Scalability of DFT-based QM/MM MD Simulations using the MiMiC Framework. Annual meeting in Quantum and Computational Chemistry 2019-10-08 - 2019-10-09 2019.
  • Olsen, Jógvan Magnus Haugaard. Development of Multiscale Methods for Computational Biomolecular Spectroscopy. Fritz Haber Seminar - Institute of Chemistry, The Hebrew University of Jerusalem 2019-05-29 - 2019.
  • Reinholdt, Peter; Jørgensen, Frederik; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard. Polarizable Density Embedding in Protein Environments using Molecular Fractionation with Conjugate Caps. Frontiers in Multiscale Modelling of Photoreceptor Proteins 2019-09-03 - 2019-09-05 2019.
  • Olsen, Jógvan Magnus Haugaard. Development of Multiscale Methods for Computational Biomolecular Spectroscopy. Grand Challenges for Theoretical Chemistry 2019-08-19 - 2019-08-21 2019.
  • Olsen, Jógvan Magnus Haugaard. Development of Multiscale Methods for Computational Biomolecular Spectroscopy. Seminar - Department of Chemistry, Aarhus University 2019-05-23 - 2019.
  • Olsen, Jógvan Magnus Haugaard. Towards a General and Efficient Framework for Multiscale Modeling in Computational Chemistry. Seminar - Theoretical Chemistry & Biology, KTH Royal Institute of Technology 2018-11-29 - 2018.
  • Olsen, Jógvan Magnus Haugaard. Towards Fast and Accurate Computational Spectroscopy of Biomolecular Systems. Danish Chemical Society Annual Meeting 2018 2018-08-23 - 2018.
  • Look at all works in CRIStin →