Kenneth Ruud
Stillingsbeskrivelse
Professor i teoretisk kjemi
Vitenskapelige arbeidsområder
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
Marc Joosten,
Michal Repisky,
Marius Kadek,
Pekka Pyykkö,
Kenneth Ruud
:
Electric field gradients at the nuclei from all-electron four-component relativistic density functional theory using Gaussian-type orbitals
Pijush Karak,
Pradipta Manna,
Ambar Banerjee,
Kenneth Ruud,
Swapan Chakrabarti
:
Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet-Triplet Gap System: A Wigner Phase Space Study
The Journal of Physical Chemistry Letters 2024 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
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
Karolina Solheimslid Eikås,
Krupová Monika,
Tone Kristoffersen,
Maarten Beerepoot,
Kenneth Ruud
:
Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism?
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
Katarzyna Jakubowska,
Magdalena Pecul,
Kenneth Ruud
:
Vibrational Corrections to NMR Spin-Spin Coupling Constants from Relativistic Four-Component DFT Calculations
Pijush Karak,
Kenneth Ruud,
Swapan Chakrabarti
:
Spin-vibronic interaction induced reverse intersystem crossing: A case study with TXO-TPA and TXO-PhCz molecules
Karolina Solheimslid Eikås,
Maarten Beerepoot,
Kenneth Ruud
:
A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides
Pijush Karak,
Kenneth Ruud,
Swapan Chakrabarti
:
Demystifying the Origin of Vibrational Coherence Transfer Between the S1 and T1 States of the Pt-pop Complex
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
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
Katarzyna Jakubowska,
Magdalena Pecul-Kudelska,
Kenneth Ruud
:
Relativistic Four-Component DFT Calculations of Vibrational Frequencies
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
Torsha Moitra,
Pijush Karak,
Sayantani Chakraborty,
Kenneth Ruud,
Swapan Chakrabarti
:
Behind the scenes of spin-forbidden decay pathways in transition metal complexes
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
2024
2023
2023
2023
Elsevier 2023 DOI
2022
2022
2022
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
Klassekampen 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
Monika Krupova,
Karolina Di Remigio Eikås,
Kenneth Ruud
:
Conformational Studies of Cyclic Hexapeptides with Vibrational Circular Dichroism: Experimental and Theoretical Approach
2022
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
Håkon Emil Kristiansen,
Thomas Bondo Pedersen,
Simen Kvaal,
Kenneth Ruud
:
Coupled-Cluster Theory for Electron Dynamics
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
2022
Michal Repisky,
Lukas Konecny,
Torsha Moitra,
Marius Kadek,
Kenneth Ruud
:
Modern X-ray spectroscopies with atomic mean-field X2C Hamiltonians
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
06. mai 2022
Khrono.no 23. mars 2022 FULLTEKST
2022
2022
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
Lise Øvreås,
Terje Lohndal,
Kenneth Ruud,
Gunn Elisabeth Birkelund
:
Forskningsrådet må ikke svekkes
Aftenposten (morgenutg. : trykt utg.) 13. juni 2022 FULLTEKST
2021
2021 FULLTEKST
2021
Kenneth Ruud,
Marte Blikstad-Balas
:
Hvordan bli en vellykket forsker?
28. november 2021 FULLTEKST
2021
Kenneth Ruud,
Erkki J. Brändas
:
Preface
Advances in Quantum Chemistry 2020 DOI
Khrono.no 25. februar 2020 FULLTEKST
Khrono.no 01. april 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
Medlem i forskningsgruppe
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-)