Jogvan Magnus Haugaard Olsen

Førsteamanuensis
ved Institutt for kjemi ved UiT Norges arktiske universitet

Klassifisering Klassifisering

Vitenskapsdisipliner

Teoretisk kjemi, kvantekjemi

Emneord

Molekylær dynamikk • Multiskalasimulering

Resultater Resultater

Benchmarks and Workflow for Fragment-based Polarizable Embedding (PE): Calculations of Harmonic IR and Raman Spectra.

Vester, Jonas; Carrasco-Busturia, David; Ruud, Kenneth; Ringholm, Magnus; Olsen, Jógvan Magnus Haugaard. 2022, WATOC 2020. UITPoster

Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC.

Kirsch, Till; Olsen, Jógvan Magnus Haugaard; Bolnykh, Viacheslav; Meloni, Simone; Ippoliti, Emiliano; Rothlisberger, Ursula; Cascella, Michele; Gauss, Jürgen. 2021, Journal of Chemical Theory and Computation. FZJUELICH, JGM, EPFL, DTU, UIO, UNIFEVitenskapelig artikkel

Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model.

Dundas, Karen Oda Hjorth; Beerepoot, Maarten; Ringholm, Magnus; Reine, Simen Sommerfelt; Bast, Radovan; List, Nanna Holmgaard; Kongsted, Jacob; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard. 2021, Journal of Chemical Theory and Computation. UIT, SU, SDU, UIO, SLACVitenskapelig artikkel

Frontiers in Multiscale Modeling of Photoreceptor Proteins.

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 mfl.. 2021, Photochemistry and Photobiology. TUB, UIT, UvA, HHB, UNIEIFFEL, RAS, SDU, AMU, ISRAEL, KAIST, UOSC, MSU, CvOUO, UdSdMeRE, FUB, UNISI, AU, BGSU, UdG, MPIMFVitenskapelig oversiktsartikkel/review

Polarizable Density Embedding for Large Biomolecular Systems.

Reinholdt, Peter; Jørgensen, Frederik Kamper; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard. 2020, Journal of Chemical Theory and Computation. UIT, AU, SDUVitenskapelig artikkel

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