Jógvan Magnus Haugaard Olsen

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Jacob KongstedUniverity of Southern DenmarkVerified email at sdu.dk
Nanna Holmgaard ListKTH Royal Institute of TechnologyVerified email at kth.se
Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University ofVerified email at uit.no
Peter ReinholdtUniversity of Southern DenmarkVerified email at sdu.dk
Arnfinn SteindalUiTVerified email at uit.no
Casper SteinmannDepartment of Chemistry and Bioscience, Aalborg UniversityVerified email at bio.aau.dk
Maarten T. P. BeerepootDepartment of Chemistry, UiT The Arctic UniversityVerified email at uit.no
Hans Jørgen Aagaard JensenDepartment of Physics, Chemistry and Pharmacy; University of Southern DenmarkVerified email at sdu.dk
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryVerified email at epfl.ch
Simone MeloniDept. of Chemical and Pharmaceutical Sciences, University of FerraraVerified email at unife.it
Ove ChristiansenDepartment of Chemistry, Aarhus UniversityVerified email at chem.au.dk
Erik Donovan HedegårdAssociate Professor at University of Southern DenmarkVerified email at sdu.dk
Paolo CarloniForschungszentrum JülichVerified email at fz-juelich.de
Luca FredianiHylleraas Centre, UiT, The Arctic University of NorwayVerified email at uit.no
Morten S. NørbyPost doc., University of Southern DenmarkVerified email at sdu.dk
Emiliano IppolitiForschungszentrum JülichVerified email at fz-juelich.de
christof haettigFaculty for Chemistry and Biochemistry, RUBVerified email at rub.de
Erik KjellgrenSDUVerified email at sdu.dk
Kurt V. MikkelsenProfessor of Theoretical Chemistry, Department of Chemistry, University of CopenhagenVerified email at chem.ku.dk
Patrick NormanKTH Royal Institute of TechnologyVerified email at kth.se

Jógvan Magnus Haugaard Olsen

Department of Chemistry, Technical University of Denmark

Verified email at kemi.dtu.dk - Homepage

Computational Chemistry Biophysical Chemistry Computational Spectroscopy QM/MM Multiscale Simulation


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The Dalton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014	1240*	2014
Excited states in solution through polarizable embedding JM Olsen, K Aidas, J Kongsted Journal of Chemical Theory and Computation 6 (12), 3721-3734, 2010	319	2010
Molecular properties through polarizable embedding JMH Olsen, J Kongsted Adv. Quantum Chem 61, 107-143, 2011	171*	2011
The DIRAC code for relativistic molecular calculations T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ... The Journal of Chemical Physics 152 (20), 204104, 2020	160	2020
PERI–CC2: A Polarizable Embedded RI-CC2 Method T Schwabe, K Sneskov, JMH Olsen, J Kongsted, O Christiansen, ... Journal of Chemical Theory and Computation 8 (9), 3274-3283, 2012	84	2012
Excited states in large molecular systems through polarizable embedding NH List, JMH Olsen, J Kongsted Physical Chemistry Chemical Physics 18 (30), 20234-20250, 2016	82	2016
Polarizable density embedding: A new QM/QM/MM-based computational strategy JMH Olsen, C Steinmann, K Ruud, J Kongsted The Journal of Physical Chemistry A 119 (21), 5344-5355, 2015	82	2015
Solvation effects on electronic transitions: Exploring the performance of advanced solvent potentials in polarizable embedding calculations T Schwabe, JMH Olsen, K Sneskov, J Kongsted, O Christiansen Journal of Chemical Theory and Computation 7 (7), 2209-2217, 2011	82	2011
A combined quantum mechanics/molecular mechanics study of the one-and two-photon absorption in the green fluorescent protein AH Steindal, JMH Olsen, K Ruud, L Frediani, J Kongsted Physical Chemistry Chemical Physics 14 (16), 5440-5451, 2012	74	2012
Solvatochromic shifts in uracil: a combined MD-QM/MM study JM Olsen, K Aidas, KV Mikkelsen, J Kongsted Journal of Chemical Theory and Computation 6 (1), 249-256, 2010	65	2010
Quantifying electron transfer reactions in biological systems: what interactions play the major role? E Sjulstok, JMH Olsen, IA Solov’yov Scientific Reports 5 (1), 1-11, 2015	64	2015
Damped response theory in combination with polarizable environments: The polarizable embedding complex polarization propagator method MN Pedersen, ED Hedegård, JMH Olsen, J Kauczor, P Norman, ... Journal of Chemical Theory and Computation 10 (3), 1164-1171, 2014	56	2014
Molecular-level insight into the spectral tuning mechanism of the DsRed chromophore NH List, JMH Olsen, HJA Jensen, AH Steindal, J Kongsted The Journal of Physical Chemistry Letters 3 (23), 3513-3521, 2012	55	2012
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins MTP Beerepoot, AH Steindal, J Kongsted, BO Brandsdal, L Frediani, ... Physical Chemistry Chemical Physics 15 (13), 4735-4743, 2013	52	2013
Performance of popular XC‐functionals for the description of excitation energies in GFP‐like chromophore models NH List, JM Olsen, T Rocha‐Rinza, O Christiansen, J Kongsted International Journal of Quantum Chemistry 112 (3), 789-800, 2012	52	2012
Polarizable density embedding: A solution to the electron spill-out problem in multiscale modeling P Reinholdt, J Kongsted, JMH Olsen The Journal of Physical Chemistry Letters 8 (23), 5949-5958, 2017	50	2017
Accuracy of protein embedding potentials: An analysis in terms of electrostatic potentials JMH Olsen, NH List, K Kristensen, J Kongsted Journal of Chemical Theory and Computation 11 (4), 1832-1842, 2015	48	2015
Analysis of computational models for an accurate study of electronic excitations in GFP T Schwabe, MTP Beerepoot, JMH Olsen, J Kongsted Physical Chemistry Chemical Physics 17 (4), 2582-2588, 2015	44	2015
Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems JMH Olsen, S Reine, O Vahtras, E Kjellgren, P Reinholdt, ... The Journal of Chemical Physics 152 (21), 214115, 2020	40	2020
Averaged solvent embedding potential parameters for multiscale modeling of molecular properties MTP Beerepoot, AH Steindal, NH List, J Kongsted, JMH Olsen Journal of Chemical Theory and Computation 12 (4), 1684-1695, 2016	40	2016

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