Jógvan Magnus Haugaard Olsen
Danmarks Tekniske Universitet
H-index: 32
Europe-Denmark
Top articles of Jógvan Magnus Haugaard Olsen
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Multiscale biomolecular simulations in the exascale era | David Carrasco-Busturia Emiliano Ippoliti Simone Meloni Ursula Rothlisberger Jógvan Magnus Haugaard Olsen | 2024/6/1 | |
MiMiC: A High-Performance Framework for Multiscale Molecular Dynamics Simulations | arXiv preprint arXiv:2403.19035 | Andrej Antalík Andrea Levy Sonata Kvedaravičiūtė Sophia K Johnson David Carrasco-Busturia | 2024/3/27 |
Impact of donor halogenation on reorganization energies and voltage losses in bulk-heterojunction solar cells | Energy & Environmental Science | Hongbo Wu Zaifei Ma Mengyang Li Hao Lu Ailing Tang | 2023 |
Induction effects on the absorption maxima of photoreceptor proteins | Biophysics and physicobiology | Jonathan R Church Jógvan Magnus Haugaard Olsen Igor Schapiro | 2023 |
Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds | Journal of Chemical Theory and Computation | David Carrasco-Busturia Jógvan Magnus Haugaard Olsen | 2023/9/4 |
Polarizable Embedding without Artificial Boundary Polarization | Journal of Chemical Theory and Computation | Sonata Kvedaravičiūtė David Carrasco-Busturia Klaus B Møller Jógvan Magnus Haugaard Olsen | 2023/7/17 |
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations | Journal of Chemical Information and Modeling | Bharath Raghavan Florian K Schackert Andrea Levy Sophia K Johnson Emiliano Ippoliti | 2023/2/22 |
Deciphering the spectral tuning mechanism in proteorhodopsin: The dominant role of electrostatics instead of chromophore geometry | Chemistry–A European Journal | Jonathan R Church Gil S Amoyal Veniamin A Borin Suliman Adam Jógvan Magnus Haugaard Olsen | 2022/4/5 |
Efficient open-source implementations of linear-scaling polarizable embedding: Use octrees to save the trees | Journal of Chemical Theory and Computation | Maximilian Scheurer Peter Reinholdt Jógvan Magnus Haugaard Olsen Andreas Dreuw Jacob Kongsted | 2021/5/5 |
Frontiers in multiscale modeling of photoreceptor proteins | Photochemistry and Photobiology | Maria-Andrea Mroginski Suliman Adam Gil S. Amoyal Avishai Barnoy Ana-Nicoleta Bondar | 2021 |
The impact of retinal configuration on the protein–chromophore interactions in bistable jumping spider rhodopsin-1 | Molecules | Jonathan R Church Jógvan Magnus Haugaard Olsen Igor Schapiro | 2021/12/23 |
Wavefunction-based electrostatic-embedding QM/MM using CFOUR through MiMiC | Journal of Chemical Theory and Computation | Till Kirsch Jógvan Magnus Haugaard Olsen Viacheslav Bolnykh Simone Meloni Emiliano Ippoliti | 2021/12/14 |
Harmonic infrared and Raman spectra in molecular environments using the polarizable embedding model | Journal of Chemical theory and Computation | Karen Oda Hjorth Minde Dundas Maarten TP Beerepoot Magnus Ringholm Simen Reine Radovan Bast | 2021/5/19 |
Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems | The Journal of chemical physics | Jógvan Magnus Haugaard Olsen Simen Reine Olav Vahtras Erik Kjellgren Peter Reinholdt | 2020/6/7 |
The DIRAC code for relativistic molecular calculations | The Journal of chemical physics | Trond Saue Radovan Bast André Severo Pereira Gomes Hans Jørgen Aa Jensen Lucas Visscher | 2020/5/29 |
Molecular basis of CLC antiporter inhibition by fluoride | Journal of the American Chemical Society | Maria Gabriella Chiariello Viacheslav Bolnykh Emiliano Ippoliti Simone Meloni Jógvan Magnus Haugaard Olsen | 2020/4/1 |
Polarizable density embedding for large biomolecular systems | Journal of Chemical theory and Computation | Peter Reinholdt Frederik Kamper Jørgensen Jacob Kongsted Jógvan Magnus Haugaard Olsen | 2020/9/29 |
Avoiding electron spill-out in QM/MM calculations on excited states with simple pseudopotentials | Journal of Chemical Theory and Computation | Alireza Marefat Khah Peter Reinholdt Jógvan Magnus Haugaard Olsen Jacob Kongsted Christof Hattig | 2020/2/7 |
Accuracy of Molecular Simulation-Based Predictions of k off Values: A Metadynamics Study | The journal of physical chemistry letters | Riccardo Capelli Wenping Lyu Viacheslav Bolnykh Simone Meloni Jógvan Magnus Haugaard Olsen | 2020/7/16 |
MiMiC: Multiscale Modeling in Computational Chemistry | Frontiers in molecular biosciences | Viacheslav Bolnykh Jógvan Magnus Haugaard Olsen Simone Meloni Martin P Bircher Emiliano Ippoliti | 2020/3/20 |
Co-Authors
