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Researcher

Kadek, Marius

Researcher
Department of Chemistry




Research interests

Electronic structure of solid state systems

Relativistic quantum chemistry

Spin-orbital interaction in solids

Real-time simulation of electron dynamics

Teaching

FYS-2001 - Statistical physics and thermodynamics (H2014, tutorials)

FYS-2000 - Quantum mechanics (V2016, tutorials)

FYS-2000 - Quantum mechanics (V2017, tutorials)

Publications in CRIStin


  • Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions. (fulltekst) Physical review B (PRB) 2019; Volum 99 (20). ISSN 2469-9950.s doi: 10.1103/PhysRevB.99.205103.

  • Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Ruud, Kenneth; Repisky, Michal. Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies. Journal of Chemical Physics 2018; Volum 149 (20). ISSN 0021-9606.s doi: 10.1063/1.5051032.

  • Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Malkina, Olga L.; Ruud, Kenneth; Repisky, Michal. Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties. Journal of Chemical Theory and Computation 2016; Volum 12. ISSN 1549-9618.s 5823 - 5833.s doi: 10.1021/acs.jctc.6b00740.

  • Kadek, Marius; Konecny, Lukas; Gao, Bin; Repisky, Michal; Ruud, Kenneth. X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix. (fulltekst) Physical Chemistry, Chemical Physics - PCCP 2015; Volum 17 (35). ISSN 1463-9076.s 22566 - 22570.s doi: 10.1039/c5cp03712c.

  • Repisky, Michal; Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Malkina, Olga L.; Malkin, Vladimir G.; Ruud, Kenneth. Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation. Journal of Chemical Theory and Computation 2015; Volum 11 (3). ISSN 1549-9618.s 980 - 991.s doi: 10.1021/ct501078d.

  • Kadek, Marius; Repisky, Michal; Ruud, Kenneth. Full-potential relativistic four-component Dirac-Kohn-Sham method for periodic systems using Gaussian-type functions. Bulletin of the American Physical Society (sammendrag) 2019-03-23 - 2019-03-23 2019.

  • Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron relativistic four-component Dirac-Kohn-Sham theory for solids using Gaussian-type functions. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019.

  • Kadek, Marius; Repisky, Michal; Ruud, Kenneth. All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. 59th Sanibel Symposium 2019-02-17 - 2019-02-22 2019.

  • Kadek, Marius. 4-component self-consistent field method for periodic systems using Gaussian-type basis. XIth Workshop on Modern Methods in Quantum Chemistry 2018-02-26 - 2018.

  • Os, Vibeke; Kadek, Marius. Einsteins teori gjør hele forskjellen når kjemiker skal finne gull. (fulltekst) 2018.

  • Kadek, Marius. Machine Learning approaches in electronic structure theory. PhD Defense trial lecture 2018-08-28 - 2018.

  • Kadek, Marius. Advancing relativistic electronic structure methods for solids and in the time domain. 2018 ISBN 978-82-8236-312-9.

  • Kadek, Marius. Role of time-reversal symmetry in relativistic band-structure calculations of solids. NKS Landsmøte i kjemi 2018-10-18 - 2018.

  • Kadek, Marius. Band gap opens due to spin-orbit interaction in 2D materials. Joint Oslo - Tromsø Hylleraas seminar 2018-03-23 - 2018.

  • Kadek, Marius; Repisky, Michal; Ruud, Kenneth. 4-component relativistic calculations with periodic boundary conditions. The 11th Triennial Congress of the World Association of Theoretical and Computational Chemists 2017-08-27 - 2017-09-01 2017.

  • Kadek, Marius; Repisky, Michal; Ruud, Kenneth. 4-component relativistic calculations with periodic boundary conditions. Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory 2017-12-08 - 2017-12-09 2017.

  • Kadek, Marius. (Relativistic) Gaussian-based SCF methodology for periodic systems. Joint Oslo - Tromsø Hylleraas seminar 2017-10-27 - 2017.

  • Kadek, Marius. A bird's-eye view of solids and band structures. CTCC joint weekly seminars 2016-11-18 - 2016.

  • Kadek, Marius. 4-component real-time TDDFT (theory and implementation). Modern Methods in Quantum Chemistry 2015-02-22 - 2015-02-27 2015.

  • Kadek, Marius. A solution of the TDDFT equation in real time. CTCC annual meeting 2015-04-22 - 2015-04-23 2015.

  • Kadek, Marius. Real-time solution of the time-dependent Dirac-Coulomb equation. 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics 2014-09-20 - 2014-09-24 2014.