Kenneth Ruud


Professor, Teoretisk og beregningsbasert kjemi, Hylleraas Centre for Quantum Molecular Sciences

Stillingsbeskrivelse

Professor i teoretisk kjemi

 

 


  • Pijush Karak, Torsha Moitra, Ambar Banerjee, Kenneth Ruud, Swapan Chakrabarti :
    Accidental triplet harvesting in donor-acceptor dyads with low spin-orbit coupling
    Physical Chemistry, Chemical Physics - PCCP 2024 DOI
  • Karolina Solheimslid Eikås, Krupová Monika, Tone Kristoffersen, Maarten Beerepoot, Kenneth Ruud :
    Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism?
    Physical Chemistry, Chemical Physics - PCCP 2023 ARKIV / DOI
  • Marius Kadek, Baokai Wang, Marc Joosten, Wei-Chi Chiu, Francois Mairesse, Michal Repisky m.fl.:
    Band structures and Z2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
    PHYSICAL REVIEW MATERIALS 2023 DATA / ARKIV / DOI
  • Pijush Karak, Torsha Moitra, Kenneth Ruud, Swapan Chakrabarti :
    Photophysics of uracil: an explicit time-dependent generating function-based method combining both nonadiabatic and spin-orbit coupling effects
    Physical Chemistry, Chemical Physics - PCCP 2023 ARKIV / DOI
  • Lukas Konecny, Stanislav Komorovsky, Jan Vicha, Kenneth Ruud, Michal Repisky :
    Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X-ray Absorption Spectra Near L- and M-Edges of Four-Component Quality at Two-Component Cost
    Journal of Physical Chemistry A 2023 ARKIV / DOI
  • Karolina Solheimslid Eikås, Maarten Beerepoot, Kenneth Ruud :
    A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides
    Journal of Physical Chemistry A 2022 ARKIV / DOI
  • Pijush Karak, Kenneth Ruud, Swapan Chakrabarti :
    Spin-vibronic interaction induced reverse intersystem crossing: A case study with TXO-TPA and TXO-PhCz molecules
    Journal of Chemical Physics 2022 ARKIV / DOI
  • Katarzyna Jakubowska, Magdalena Pecul, Kenneth Ruud :
    Vibrational Corrections to NMR Spin-Spin Coupling Constants from Relativistic Four-Component DFT Calculations
    Journal of Physical Chemistry A 2022 ARKIV / DOI
  • Pijush Karak, Kenneth Ruud, Swapan Chakrabarti :
    Demystifying the Origin of Vibrational Coherence Transfer Between the S1 and T1 States of the Pt-pop Complex
    The Journal of Physical Chemistry Letters 2021 ARKIV / DOI
  • Torsha Moitra, Pijush Karak, Sayantani Chakraborty, Kenneth Ruud, Swapan Chakrabarti :
    Behind the scenes of spin-forbidden decay pathways in transition metal complexes
    Physical Chemistry, Chemical Physics - PCCP 2021 ARKIV / DOI
  • Karen Oda Hjorth Dundas, Maarten Beerepoot, Magnus Ringholm, Simen Sommerfelt Reine, Radovan Bast, Nanna Holmgaard List m.fl.:
    Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
    Journal of Chemical Theory and Computation 2021 ARKIV / DOI
  • Lukas Konecny, Jan Vicha, Stanislav Komorovsky, Kenneth Ruud, Michal Repisky :
    Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory
    Inorganic Chemistry 2021 ARKIV / FULLTEKST / DOI
  • Katarzyna Jakubowska, Magdalena Pecul-Kudelska, Kenneth Ruud :
    Relativistic Four-Component DFT Calculations of Vibrational Frequencies
    Journal of Physical Chemistry A 2021 ARKIV / DOI
  • Marta Chołuj, MD Mehboob Alam, Maarten Beerepoot, Sebastian P. Sitkiewicz, Eduard Matito, Kenneth Ruud :
    Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
    Journal of Chemical Theory and Computation 2021 FULLTEKST / ARKIV / DOI
  • Vladimir Pomogaev, Sandro Chiodo, Kenneth Ruud, Rimma Kuznetsova, Pavel Avramov :
    Computational investigation on the photophysical properties of halogenated tetraphenyl BODIPY
    Journal of Physical Chemistry C 2020 ARKIV / DOI
  • Michal Repisky, Stanislav Komorovsky, Marius Kadek, Lukas Konecny, Ulf Egil Ekström, Elena Malkin m.fl.:
    ReSpect: Relativistic spectroscopy DFT program package
    Journal of Chemical Physics 2020 ARKIV / DOI
  • Jógvan Magnus Haugaard Olsen, Simen Sommerfelt Reine, Olav Vahtras, Erik Kjellgren, Peter Reinholdt, Karen O.H Dundas m.fl.:
    Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
    Journal of Chemical Physics 2020 FULLTEKST / ARKIV / DOI
  • Mehboob Alam, Kenneth Ruud :
    Two-photon absorption in host-guest complexes
    Molecular Physics 2020 ARKIV / DOI
  • MD Mehboob Alam, Maarten Beerepoot, Kenneth Ruud :
    A generalized few-state model for the first hyperpolarizability
    Journal of Chemical Physics 2020 ARKIV / DOI
  • Theoretical Relativistic All-electron Investigations of NQCCs in Solids in multiple dimensions
    2023
  • Material properties from all-electron four-component relativistic DFT calculations
    2023
  • Klima- og sikkerhetspolitikk i en ny geopolitisk verden
    2023
  • Introduction to Relativistic Effects and the Chemistry of Heavy Elements
    Elsevier 2023 DOI
  • Monika Krupova, Karolina Di Remigio Eikås, Johan Mattias Isaksson, Kenneth Ruud :
    Vibrational Circular Dichroism of Antimicrobial Peptides: What is Their Structure in Solution and in Membranes?
    2022
  • Defence research in times of war: Prospects and challenges
    2022
  • Lukas Konecny, Stanislav Komorovsky, Kenneth Ruud, Michal Repisky :
    Relativistic TDDFT allows prediction and interpretation of XAS spectra near heavy metal L- and M-edges
    2022
  • Lukas Konecny, Stanislav Komorovsky, Kenneth Ruud, Michal Repisky :
    Relativistic TDDFT allows prediction and interpretation of XAS spectra near heavy metal L- and M-edges
    2022
  • Bruk av scenarioer
    Klassekampen 2022
  • Michal Repisky, Lukas Konecny, Torsha Moitra, Marius Kadek, Kenneth Ruud :
    Modern X-ray spectroscopies with atomic mean-field X2C Hamiltonians
    2022
  • Monika Krupova, Karolina Di Remigio Eikås, Kenneth Ruud :
    Conformational Studies of Cyclic Hexapeptides with Vibrational Circular Dichroism: Experimental and Theoretical Approach
    2022
  • Kenneth Ruud, Ingrid Heggland, Ingunn Limstrand, Klas Henning Pettersen, Gunnar Bøe, Tanja Storsul m.fl.:
    Investering i infrastrukturer for FAIR forskningsdata og særlig relevante forvaltningsdata for forskning. Anbefalinger fra datainfrastrukturutvalget mai 2022.
    Norges forskningsråd 2022 FULLTEKST
  • Open Science: New requirements and new opportunities
    2022
  • FFIs klima og sikkerhetskonferanse
    2022
  • Sikkerhetshensyn i forskning - Et militærteknologisk perspektiv
    2022
  • Eksportkontroll og internasjonalt samarbeid - Ser det annerledes ut fra "innsiden" enn fra "utsiden"
    2022
  • Jonas Vester, David Carrasco-Busturia, Kenneth Ruud, Magnus Ringholm, Jógvan Magnus Haugaard Olsen :
    Benchmarks and Workflow for Fragment-based Polarizable Embedding (PE): Calculations of Harmonic IR and Raman Spectra
    2022
  • X-ray spectroscopy from 2- and 4-component relativistic damped linear response theory
    2022
  • Lederliv
    06. mai 2022
  • Finnes det en permanent løsning på midlertidighetens gordiske knute?
    Khrono.no 23. mars 2022 FULLTEKST
  • Lise Øvreås, Terje Lohndal, Kenneth Ruud, Gunn Elisabeth Birkelund :
    Forskningsrådet må ikke svekkes
    Aftenposten (morgenutg. : trykt utg.) 13. juni 2022 FULLTEKST
  • Hilde Tonne, Kenneth Ruud, Jan Magnus Aronsen, Eli Aamot, Karianne Melleby, Mette Halskov Hansen m.fl.:
    Statsråden omtaler situasjonen som «alvorlig». Realiteten er at det er en oppkonstruert krise.
    Aftenposten (morgenutg. : trykt utg.) 19. mai 2022 FULLTEKST
  • Håkon Emil Kristiansen, Thomas Bondo Pedersen, Simen Kvaal, Kenneth Ruud :
    Coupled-Cluster Theory for Electron Dynamics
  • Recent advances in relativistic all-electron Dirac-Kohn-Sham calculations of solids using Gaussian-type orbitals
    2022
  • DORA in practice
    2021 FULLTEKST
  • Relativistic 4c linear damped response TDDFT for valence and X-ray absorption spectroscopy
    2021
  • Kenneth Ruud, Marte Blikstad-Balas :
    Hvordan bli en vellykket forsker?
    28. november 2021 FULLTEKST
  • Hvordan lykkes som ung forsker på 2020-tallet?
    2021
  • FFI i en ny sikkerhetspolitisk verden
    2021
  • Marius Kadek, Marc Joosten, Michal Repisky, Kenneth Ruud :
    Four-component Dirac-Kohn-Sham theory for relativistic band structures of periodic systems based on Gaussian-type orbitals
    2020
  • Åpen forskning er rett løsning
    Aftenposten (morgenutg. : trykt utg.) 30. mars 2020 FULLTEKST

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    Forskningsinteresser

    Kenneth Ruud is a professor of theoretical chemistry at the University of Tromsø - The Arctic University of Norway (Norway) and the Director General of the Norwegian Defence Research Establishment. He received his Ph.D. degree from the University of Oslo in 1998 (supervisor Trygve Helgaker) and spent 2 years as a postdoctoral fellow in San Diego with Peter Taylor before moving to Tromsø in 2001. His main research interests are development of new ab initio methods for the study of molecular properties for non-relativistic and relativistic methods. Additional interests include solvent effects (continuum and QM/MM methods) and vibronic and relativistic effects. He is an author of several quantum chemistry program: Dalton, Dirac, ReSpect, and OpenRSP.

    Research ID: E-5947-2010
    Publon: https://publons.com/a/462588/

    Undervisning

    KJE-8105, Molecular Properties



    CV

    Vitenskapelige utmerkelser

    • Innvalgt medlem i Det norske videnskaps-akademi (DNVA)
    • Elected Fellow i American Association for the Advancement of Science (AAAS)
    • Innvalgt medlem i Norges Teknisk-Naturvitenskapelige Akademi (NTVA)
    • Innvalgt utenlandsk medlem i Finnish Academy of Science and Letters
    • Valgt medlem av Board of Directors av International Society of Theoretical Chemical Physics (ISTCP)
    • Innvalgt medlem av Academia Borealis
    • Dirac medaljen 2008 "for the outstanding computational chemist in the world under the age of 40" fra World Association of Theoretical and Computation Chemists (WATOC)
    • Pris for yngre forskere fra Universitetet i Tromsø, 2005

    Nåværende tillitsverv:

    • Styreleder i Center for Modeling of Coupled Subsurface Dynamics (CSD) (2021-)
    • Styreleder i Centre for Autonomous Robotics Operations Subsea (CAROS) (2021-)
    • Visepreses i Det norske videnskaps-akademi (2020-)
    • Medlem av styret i VISTA (2020-)
    • Medlem av International Advisory Board of the Institute of Inorganic Chemistry, Slovak Academy of Sciences (2020-)
    • Nestleder i styret i Norges Forskningsråd (2019-)
    • Styremedlem i Uninett-Sigma2, selskapet som drifter norsk tungregning og datalagring for forskning (2015-)
    • Medlem av Scientic Council for IT4Innovation, det tsjekkiske tungregneprogrammet (2015-)