Jógvan Magnus Haugaard Olsen
UiT Norges arktiske universitet
Research Fellow, Chemistry
Norway
My co-authors include
Kestutis Aidas
Kenneth Ruud
Dr Stephan P. A. Sauer
Find me at
My Publications
CPPE: An Open-Source C++ and Python Library for Polarizable Embedding
July 2019
CPPE: An Open-Source C++ and Python Library for Polarizable Embedding
July 2019
Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Env...
June 2019
Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Env...
June 2019
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry
Journal of Chemical Theory and Computation
May 2019
Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC
May 2019
Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC
May 2019
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry
January 2019
MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry
January 2019
Response properties of embedded molecules through the polarizable embedding model
International Journal of Quantum Chemistry
September 2018
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling E...
Journal of Chemical Theory and Computation
August 2018
Importance of Accurate Structures for Quantum Chemistry Embedding Methods: Which Strate...
Journal of Chemical Theory and Computation
July 2018
Polarizable Density Embedding Coupled Cluster Method
Journal of Chemical Theory and Computation
February 2018
A QM/MM and QM/QM/MM study of Kerr, Cotton–Mouton and Jones linear birefringences in li...
Physical Chemistry Chemical Physics
January 2018
Polarizable Density Embedding: A Solution to the Electron Spill-Out Problem in Multisca...
The Journal of Physical Chemistry Letters
November 2017
The Quality of the Embedding Potential Is Decisive for Minimal Quantum Region Size in E...
Journal of Chemical Theory and Computation
November 2017
Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach
Journal of Chemical Theory and Computation
August 2017
Optimization and transferability of non-electrostatic repulsion in the polarizable dens...
Journal of Computational Chemistry
June 2017
Relativistic Polarizable Embedding
Journal of Chemical Theory and Computation
May 2017
An averaged polarizable potential for multiscale modeling in phospholipid membranes
Journal of Computational Chemistry
February 2017
Automated Fragmentation Polarizable Embedding Density Functional Theory (PE-DFT) Calcul...
Journal of Chemical Theory and Computation
January 2017
Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution
Physical Chemistry Chemical Physics
January 2017
Computational Approach for Studying Optical Properties of DNA Systems in Solution
Journal of Chemical Theory and Computation
September 2016
Embedding beyond electrostatics—The role of wave function confinement
The Journal of Chemical Physics
September 2016
Multipole moments for embedding potentials: Exploring different atomic allocation algor...
Journal of Computational Chemistry
May 2016
Averaged Solvent Embedding Potential Parameters for Multiscale Modeling of Molecular Pr...
Journal of Chemical Theory and Computation
March 2016
Correction: Analysis of computational models for an accurate study of electronic excita...
Physical Chemistry Chemical Physics
January 2016
Excited states in large molecular systems through polarizable embedding
Physical Chemistry Chemical Physics
January 2016
Open-ended response theory with polarizable embedding: multiphoton absorption in biomol...
Physical Chemistry Chemical Physics
January 2016
Quantifying electron transfer reactions in biological systems: what interactions play t...
Scientific Reports
December 2015
Correction to “Polarizable Density Embedding: A New QM/QM/MM-based Computational Strategy”
The Journal of Physical Chemistry A
June 2015
Accuracy of Protein Embedding Potentials: An Analysis in Terms of Electrostatic Potentials
Journal of Chemical Theory and Computation
April 2015
Polarizable embedding with a multiconfiguration short-range density functional theory l...
The Journal of Chemical Physics
March 2015
Polarizable Density Embedding: A New QM/QM/MM-Based Computational Strategy
The Journal of Physical Chemistry A
February 2015
Molecular quantum mechanical gradients within the polarizable embedding approach—Applic...
The Journal of Chemical Physics
January 2015
Analysis of computational models for an accurate study of electronic excitations in GFP
Physical Chemistry Chemical Physics
January 2015
Photodissociation of OCS: Deviations between theory and experiment, and the importance ...
The Journal of Chemical Physics
November 2014
Convergence of environment polarization effects in multiscale modeling of excitation en...
Computational and Theoretical Chemistry
July 2014
Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calcu...
Journal of Chemical Theory and Computation
February 2014
Damped Response Theory in Combination with Polarizable Environments: The Polarizable Em...
Journal of Chemical Theory and Computation
February 2014
Binding free energy based structural dynamics analysis of HIV-1 RT RNase H–inhibitor co...
Integrative Biology
January 2014
The Dalton quantum chemistry program system
Wiley Interdisciplinary Reviews Computational Molecular Science
September 2013
Photoabsorption of Acridine Yellow and Proflavin Bound to Human Serum Albumin Studied b...
The Journal of Physical Chemistry
February 2013
Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants
Physical Chemistry Chemical Physics
January 2013
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins
Physical Chemistry Chemical Physics
January 2013
Amyloid Fibril-Induced Structural and Spectral Modifications in the Thioflavin-T Optica...
The Journal of Physical Chemistry Letters
December 2012
Molecular-Level Insight into the Spectral Tuning Mechanism of the DsRed Chromophore
The Journal of Physical Chemistry Letters
November 2012
Parallelization of the polarizable embedding scheme for higher-order response functions
Molecular Physics
September 2012
PERI–CC2: A Polarizable Embedded RI-CC2 Method
Journal of Chemical Theory and Computation
August 2012
A combined quantum mechanics/molecular mechanics study of the one- and two-photon absor...
Physical Chemistry Chemical Physics
January 2012
Solvatochromic shifts vs nanosolvation patterns: Uracil in water as a test case
Computational and Theoretical Chemistry
November 2011
Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solv...
Journal of Chemical Theory and Computation
July 2011
Computational protocols for prediction of solute NMR relative chemical shifts. A case s...
Journal of Computational Chemistry
July 2011
Performance of popular XC-functionals for the description of excitation energies in GFP...
International Journal of Quantum Chemistry
April 2011
Molecular Properties through Polarizable Embedding
January 2011
Excited States in Solution through Polarizable Embedding
Journal of Chemical Theory and Computation
December 2010
Solvatochromic Shifts in Uracil: A Combined MD-QM/MM Study
Journal of Chemical Theory and Computation
January 2010