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Viser treff 1-29 av 29

2021
1 Kadek, Marius.
Band structures of 2D materials from efficient all-electron four-component Kohn-Sham theory using Gaussian-type orbitals. 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics; 2021-08-27
UiT Untitled
 
2 Keshavarz, Fatemeh; Kadek, Marius; Barbiellini, Bernardo; Bansil, Arun.
Electrochemical Potential of the Metal Organic Framework MIL-101(Fe) as Cathode Material in Li-Ion Batteries. Condensed Matter 2021 ;Volum 6.(22) s. 1-
UiT Untitled
 
2020
3 Kadek, Marius; Joosten, Marc; Repisky, Michal; Ruud, Kenneth.
Four-component Dirac-Kohn-Sham theory for relativistic band structures of periodic systems based on Gaussian-type orbitals. XIIIth Workshop on Modern Methods in Quantum Chemistry; 2020-03-01 - 2020-03-06
UiT Untitled
 
4 Repisky, Michal; Komorovsky, Stanislav; Kadek, Marius; Konecny, Lukas; Ekström, Ulf Egil; Malkin, Elena; Kaupp, Martin; Ruud, Kenneth; Malkina, Olga L.; Malkin, Vladimir G..
ReSpect: Relativistic spectroscopy DFT program package. Journal of Chemical Physics 2020 ;Volum 152. s. -
UiO UiT Untitled
 
2019
5 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. Physical review B (PRB) 2019 ;Volum 99.(20) s. -
UiT Untitled
 
6 Kadek, Marius; Repisky, Michal; Ruud, Kenneth.
All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. Grand Challenges for Theoretical Chemistry; 2019-08-19 - 2019-08-21
UiT Untitled
 
7 Kadek, Marius; Repisky, Michal; Ruud, Kenneth.
All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions. Current Trends in Theoretical Chemistry VIII; 2019-09-01 - 2019-09-05
UiT Untitled
 
8 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
UiT Untitled
 
9 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
UiT Untitled
 
10 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; 2019-03-23 - 2019-03-23
UiT Untitled
 
11 Konecny, Lukas; Kadek, Marius; Alam, Mehboob; Ruud, Kenneth; Repisky, Michal.
Calculation of Molecular Properties Using Relativistic Real-Time TDDFT. 10th Triennial Congress of the International Society for Theoretical Chemical Physics; 2019-07-11 - 2019-07-17
UiT Untitled
 
12 Konecny, Lukas; Kadek, Marius; Ruud, Kenneth; Repisky, Michal.
Relativistic real-time time-dependent density functional theory for molecular properties. APS March meeting; 2019-03-04 - 2019-03-08
UiT Untitled
 
2018
13 Kadek, Marius.
Advancing relativistic electronic structure methods for solids and in the time domain. Tromso: UiT Norges arktiske universitet 2018 (ISBN 978-82-8236-312-9) 77 s.
UiT Untitled
 
14 Kadek, Marius.
Band gap opens due to spin-orbit interaction in 2D materials. Joint Oslo - Tromsø Hylleraas seminar; 2018-03-23
UiT Untitled
 
15 Kadek, Marius.
Machine Learning approaches in electronic structure theory. PhD Defense trial lecture; 2018-08-28
UiT Untitled
 
16 Kadek, Marius.
Role of time-reversal symmetry in relativistic band-structure calculations of solids. NKS Landsmøte i kjemi; 2018-10-18
UiT Untitled
 
17 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
UiT Untitled
 
18 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) s. -
UiT Untitled
 
19 Os, Vibeke; Kadek, Marius.
Einsteins teori gjør hele forskjellen når kjemiker skal finne gull. uit.no/nyheter [Internett] 2018-11-15
UiT Untitled
 
2017
20 Kadek, Marius.
(Relativistic) Gaussian-based SCF methodology for periodic systems. Joint Oslo - Tromsø Hylleraas seminar; 2017-10-27
UiT Untitled
 
21 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
UiT Untitled
 
22 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
UiT Untitled
 
2016
23 Kadek, Marius.
A bird's-eye view of solids and band structures. CTCC joint weekly seminars; 2016-11-18
UiT Untitled
 
24 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. s. 5823-5833
UiT Untitled
 
2015
25 Kadek, Marius.
A solution of the TDDFT equation in real time. CTCC annual meeting; 2015-04-22 - 2015-04-23
UiT Untitled
 
26 Kadek, Marius.
4-component real-time TDDFT (theory and implementation). Modern Methods in Quantum Chemistry; 2015-02-22 - 2015-02-27
UiT Untitled
 
27 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. Physical Chemistry, Chemical Physics - PCCP 2015 ;Volum 17.(35) s. 22566-22570
UiT Untitled
 
28 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) s. 980-991
UiT Untitled
 
2014
29 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
UiT Untitled