Bilde av Kadek, Marius
Bilde av Kadek, Marius
Institutt for kjemi marius.kadek@uit.no

Marius Kadek


Forsker, Teoretisk og beregningsbasert kjemi, Hylleraas-senteret


  • 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
  • Eirill Strand Hauge, Håkon Emil Kristiansen, Lukas Konecny, Marius Kadek, Michal Repisky, Thomas Bondo Pedersen :
    Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory
    Journal of Chemical Theory and Computation 2023 FULLTEKST / ARKIV / DOI
  • Marius Kadek, Lukas Konecny, Michal Repisky :
    Relativistic Real-Time Methods
    Elsevier 2023 ARKIV / DOI
  • Torsha Moitra, Lukas Konecny, Marius Kadek, Angel Rubio, Michal Repisky :
    Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
    The Journal of Physical Chemistry Letters 2023 ARKIV / DOI
  • Fatemeh Keshavarz, Marius Kadek, Bernardo Barbiellini, Arun Bansil :
    Anodic Activity of Hydrated and Anhydrous Iron (II) Oxalate in Li-Ion Batteries
    Condensed Matter 2022 FULLTEKST / ARKIV / DOI
  • Fatemeh Keshavarz, Marius Kadek, Bernardo Barbiellini, Arun Bansil :
    Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries
    Condensed Matter 2021 ARKIV / FULLTEKST / 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
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions
    Physical review B (PRB) 2019 ARKIV / FULLTEKST / DOI
  • Lukas Konecny, Marius Kadek, Stanislav Komorovsky, Kenneth Ruud, Michal Repisky :
    Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies
    Journal of Chemical Physics 2018 ARKIV / DOI
  • Lukas Konecny, Marius Kadek, Stanislav Komorovsky, Olga L. Malkina, Kenneth Ruud, Michal Repisky :
    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 DOI
  • Michal Repisky, Lukas Konecny, Marius Kadek, Stanislav Komorovsky, Olga L. Malkina, Vladimir G. Malkin :
    Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation
    Journal of Chemical Theory and Computation 2015 ARKIV / DOI
  • Marius Kadek, Lukas Konecny, Bin Gao, Michal Repisky, Kenneth Ruud :
    X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix
    Physical Chemistry, Chemical Physics - PCCP 2015 FULLTEKST / ARKIV / DOI
  • Torsha Moitra, Lukas Konecny, Marius Kadek, Angel Rubio, Michal Repisky :
    Relativistic real-time time dependent density functional theory for valence and core level attosecond transient absorption spectroscopy
  • Marius Kadek :
    Band structures and Z2 invariants of 2D transition metal dichalcogenides from fully relativistic Dirac--Kohn--Sham theory using Gaussian-type orbitals
    2023
  • Marius Kadek :
    First-principles modelling of 2D materials using relativistic all-electron Dirac-Kohn-Sham theory based on Gaussian-type orbitals
    2023
  • Marius Kadek :
    Band structures of 2D transition-metal dichalcogenides films from relativistic four-component Dirac--Kohn--Sham theory using all-electron Gaussian-type orbitals
    2023
  • Marius Kadek :
    Band structures of 2D transition-metal dichalcogenides films from relativistic four-component Dirac--Kohn--Sham theory using all-electron Gaussian-type orbitals
    2022
  • Marius Kadek :
    The journey of relativistic modeling of solids
    2022
  • Michal Repisky, Lukas Konecny, Torsha Moitra, Marius Kadek, Kenneth Ruud :
    Modern X-ray spectroscopies with atomic mean-field X2C Hamiltonians
    2022
  • Marius Kadek :
    Band structures of 2D materials from efficient all-electron four-component Kohn-Sham theory using Gaussian-type orbitals
    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
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions
    2019
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    Full-potential relativistic four-component Dirac-Kohn-Sham method for periodic systems using Gaussian-type functions
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions
    2019
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions
    2019
  • Lukas Konecny, Marius Kadek, Kenneth Ruud, Michal Repisky :
    Relativistic real-time time-dependent density functional theory for molecular properties
    2019
  • Lukas Konecny, Marius Kadek, Mehboob Alam, Kenneth Ruud, Michal Repisky :
    Calculation of Molecular Properties Using Relativistic Real-Time TDDFT
    2019
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron relativistic four-component Dirac-Kohn-Sham theory for solids using Gaussian-type functions
    2019
  • Marius Kadek :
    Advancing relativistic electronic structure methods for solids and in the time domain
    UiT Norges arktiske universitet 2018
  • Marius Kadek :
    Machine Learning approaches in electronic structure theory
    2018
  • Marius Kadek :
    Role of time-reversal symmetry in relativistic band-structure calculations of solids
    2018
  • Vibeke Os, Marius Kadek :
    Einsteins teori gjør hele forskjellen når kjemiker skal finne gull
    15. november 2018 FULLTEKST
  • Marius Kadek :
    Band gap opens due to spin-orbit interaction in 2D materials
    2018
  • Marius Kadek :
    4-component self-consistent field method for periodic systems using Gaussian-type basis
    2018
  • Marius Kadek :
    (Relativistic) Gaussian-based SCF methodology for periodic systems
    2017
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    4-component relativistic calculations with periodic boundary conditions
    2017
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    4-component relativistic calculations with periodic boundary conditions
    2017
  • Marius Kadek :
    A bird's-eye view of solids and band structures
    2016
  • Marius Kadek :
    A solution of the TDDFT equation in real time
    2015
  • Marius Kadek :
    4-component real-time TDDFT (theory and implementation)
    2015
  • Marius Kadek :
    Real-time solution of the time-dependent Dirac-Coulomb equation
    2014

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    Forskningsinteresser

    Electronic structure of solid state systems

    Relativistic quantum chemistry

    Spin-orbital interaction in solids

    Real-time simulation of electron dynamics

    Undervisning

    FYS-2001 - Statistisk fysikk og termodynamikk (H2014, øvelser ansvarlig)

    FYS-2000 - Kvantemekanikk (V2016, øvelser ansvarlig)

    FYS-2000 - Kvantemekanikk (V2017, øvelser ansvarlig)