Senior Researcher at UiT–The Arctic University of Norway, Tromsø, Norway
MSCA Fellow at Comenius University, Bratislava, Slovakia (7/2022-9/2025)
Associate Professor (tenure track) at Comenius University in Bratislava (10/2025-)

Michal Repisky received his Ph.D. degree from the Slovak Academy of Sciences in 2009 under the supervision of Prof. Vladimir Malkin. He subsequently spent three years as a postdoctoral fellow in Tromsø, Norway, with Prof. Kenneth Ruud before continuing his professional career as a junior researcher at the Department of Chemistry, University of Tromsø. Since 2022, he has held a principal investigator position at the Hylleraas Centre for Quantum Molecular Sciences, a Norwegian Centre of Excellence. In 2025, he was appointed tenure-track Associate Professor at Comenius University in Bratislava, Slovakia, where he had previously carried out his Marie Skłodowska-Curie SASPRO2 fellowship, co-funded by the European Commission under Horizon 2020.

Michal Repisky’s research centers on the development of modern relativistic electronic-structure methods and their translation into practical computational tools for molecular and materials spectroscopy. His work combines density-functional and response theories with multicomponent Pauli and Dirac formalisms to provide rigorous yet computationally efficient treatments of scalar-relativistic and spin-orbit effects, with particular emphasis on spectroscopic properties of heavy-element systems. His research encompasses relativistic electronic-structure theory and methodology, magnetic-resonance spectroscopy, light-matter interactions and time-dependent methods, and scientific software development. A defining aspect of his work is the close integration of theoretical and methodological advances with their implementation in scientific software. He is one of the lead developers of the relativistic density-functional theory program ReSpect and a contributing developer of the DIRAC electronic-structure program.

In the ReSpect program, Michal Repisky is the main author of several libraries such as

• SCF library (SCFun)
• integral library (InteRest)
• two-electron Fock library (TwoFock)
• real-time electron dynamics library (TDSCF)
• exchange-correlation potential library (DFTLIB)

and contributing author to the molecular property library (MAG). In addition, he is responsible for developing and maintaining the parallelision framework within ReSpect.

• KJE-8102 Computational Chemistry
• KJE-8104 Relativistic quantum chemistry
• PhD supervisor of Rasmus Vikhamar-Sandberg (2022-present)
• PhD supervisor of Sylvia Kaviraj (2023-present)
• PhD co-supervisor of Marc Joosten (2017-present)
• PhD co-supervisor of Marius Kadek (2014-2018)
• PhD co-supervisor of Lukas Konecny (2013-2017)

• Scopus
• Publons
• Google Scholar

T. Moitra, L. Konecny, M. Repisky
Attosecond Charge Migration Induced by Core-Level Ionization: A Relativistic Real-Time Time-Dependent Density Functional Theory Perspective
arXiv 2609.18428, 1-29 (2026)
[Open Access]

S. Kaviraj, S. Komorovsky, T. Saue, M. Repisky
Biquaternion Algebra with Bilinear Multiplication: A General, Elegant, and Computationally Advantageous Framework for Relativistic Electronic Structure Calculations on CPUs and GPUs
arXiv 2609.02081, 1-38 (2026)
[Open Access]

L. Konecny, M. A. Dada, D. R. Nascimento, M. Repisky
Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach
J. Chem. Theory Comput. 22, 8441-8452 (2026)
[Open Access]

R. Vikhamar-Sandberg, M. Repisky
Efficient Boys function evaluation using minimax approximation
J. Chem. Phys. 164, 154111 (2026)
[Open Access]

L. Konecny, V. P. Kosheleva, M. Ruggenthaler, M. Repisky, A. Rubio
Linear-Response Quantum-Electrodynamical Density Functional Theory Based on Two-Component X2C Hamiltonians
APL Comput. Phys. 1, 11330 (2025)
[Open Access]

M. Repisky, S. Komorovsky, L. Konecny, M. Kadek, T. Moitra, M. Joosten, D. Misenkova, R. Vikhamar-Sandberg, M. Kaupp, K. Ruud, O. L. Malkina, and V. G. Malkin
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
J. Phys. Chem. A 129, 7980–7998 (2025)
[Open Access]

T. Moitra, L. Konecny, M. Kadek, O. Neufeld, A. Rubio, and M. Repisky
Light-induced persistent electronic chirality in achiral molecules probed with time-resolved electronic circular dichroism spectroscopy
J. Phys. Chem. Lett. 16, 9210–9216 (2025)
[Open Access]

M. Joosten, M. Repisky, M. Kadek, P. Pyykko, and K. Ruud
Electric-field gradients at the nuclei from all-electron four-component relativistic density-functional theory using Gaussian-type orbitals
Phys. Rev. B 110, 19041 (2024)
[View at Publisher]

M. Kadek, L. Konecny, and M. Repisky
Relativistic Real-Time Methods
In: Yanez, Manuel and Boyd, Russell J. (eds.) Comprehensive Computational Chemistry, Vol. 3, Elsevier , 200–228 (2024)
[View at Publisher]

E. Hauge, H. E. Kristiansen, L. Konecny, M. Kadek, M. Repisky, and T. B. Pedersen
Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory
J. Chem. Theory Comput. 19, 7764–7775 (2023)
[Open Access]

M. Kadek, B. Wang, M. Joosten, W.-Ch. Chiu, F. Mairesse, M. Repisky, K. Ruud, and A. Bansil
Band structures and Z2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
Phys. Rev. Materials 7, 26625 (2023)
[View at Publisher]

T. Moitra, L. Konecny, M. Kadek, A. Rubio, and M. Repisky
Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
J. Phys. Chem. Lett. 14, 1714–1724 (2023)
[Open Access]

L. Konecny, S. Komorovsky, J. Vicha, K. Ruud, and M. 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
J. Phys. Chem. A 127, 1360–1376 (2023)
[Open Access]

S. Knecht, M. Repisky, H. J. Aa. Jensen, and T. Saue
Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
J. Chem. Phys. 157, 114106 (2022)
[View at Publisher] [Download]

D. Misenkova, F. Lemken, M. Repisky, J. Noga, O. L. Malkina, and S. Komorovsky
The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals
J. Chem. Phys. 157, 164114 (2022)
[View at Publisher] [Download]

L. Konecny, J. Vícha, S. Komorovsky, K. Ruud, and M. Repisky
Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory
Inorg. Chem. 61, 830–846 (2022)
[Open Access]

B. Senjean, S. Sen, M. Repisky, G. Knizia, and L. Visscher
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
J. Chem. Theory Comput. 17, 1337–1354 (2021)
[View at Publisher]

J. V. Pototschnig, A. Papadopoulos, D. I. Lyakh, M. Repisky, L. Halbert, A. S. P. Gomes, H. J. Aa. Jensen, and L. Visscher
Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures
J. Chem. Theory Comput. 17, 5509−5529 (2021)
[View at Publisher]

M. Repisky, S. Komorovsky, M. Kadek, L. Konecny, U. Ekstrom, E. Malkin, M. Kaupp, K. Ruud, O. L. Malkina, and V. G. Malkin
ReSpect: Relativistic spectroscopy DFT program package
J. Chem. Phys. 152, 184101 (2020)
[View at Publisher] [Download]

S. Komorovsky, K. Jakubowska, P. Swider, M. Repisky, and M. Jaszunski
NMR spin-spin coupling constants derived from relativistic four-component DFT theory: analysis and visualization
J. Phys. Chem. A 124, 5157–5169 (2020)
[View at Publisher]

A. Antusek, and M. Repisky
NMR absolute shielding scales and nuclear magnetic dipole moments of transition metal nuclei
Phys. Chem. Chem. Phys. 22, 7065–7076 (2020)
[View at Publisher]

L. Konecny, M. Repisky, K. Ruud, and S. Komorovsky
Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
J. Chem. Phys. 151, 194112 (2019)
[View at Publisher] [Download]

S. Komorovsky, P. Cherry, and M. Repisky
Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems
J. Chem. Phys. 151, 184111 (2019)
[View at Publisher] [Download]

M. Kadek, M. Repisky, and K. Ruud
All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions
Phys. Rev. B 99, 205103 (2019)
[View at Publisher] [Download]

B. Helmich-Paris, M. Repisky, and L. Visscher
Relativistic Cholesky-decomposed density matrix MP2
Chem. Phys. 518, 38–46 (2019)
[View at Publisher]

A. C. Castro, H. Fliegl, M. Cascella, T. Helgaker, M. Repisky, S. Komorovsky, M. Á. Medrano, A. G. Quiroga, and M. Swart
Four-component relativistic 31P NMR calculations for trans-platinum(ii) complexes: importance of the solvent and dynamics in spectral simulations
Dalton Trans. 48, 8076–8083 (2019)
[View at Publisher]

L. Konecny, M. Kadek, S. Komorovsky, K. Ruud, and M. Repisky
Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies
J. Chem. Phys. 149, 204104 (2018)
[View at Publisher] [Download]

J. Vicha, S. Komorovsky, M. Repisky, R. Marek, and M. Straka
Relativistic spin–orbit heavy atom on the light atom NMR chemical shifts: general trends across the periodic table explained
J. Chem. Theory Comput. 14, 3025–3039 (2018)
[View at Publisher]

L. Jeremias, J. Novotny, M. Repisky, S. Komorovsky, and R. Marek
Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes
Inorg. Chem. 57, 8748–8759 (2018)
[Open Access]

P.A.B. Haase, M. Repisky, S. Komorovsky, J. Bendix, and S.P.A. Sauer
Relativistic DFT calculations of hyperfine coupling constants in 5d hexafluorido complexes: [ReF6]2− and [IrF6]2−
Chem. Eur. J. 24, 5124–5133 (2018)
[Open Access]

R. D. Remigio, M. Repisky, S. Komorovsky, P. Hrobarik, L. Frediani, and K. Ruud
Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
Mol. Phys. 115, 214–227 (2017)
[View at Publisher] [Download]

J. Novotny, J. Vicha, P. L. Bora, M. Repisky, M. Straka, S. Komorovsky, and R. Marek
Linking the character of the metal–ligand bond to the ligand NMR shielding in transition-metal complexes: NMR contributions from spin–orbit coupling
J. Chem. Theory Comput. 13, 3586–3601 (2017)
[Open Access]

M. Hanni, P. Lantto, M. Repisky, J. Mares, B. Saam and Juha Vaara
Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization
Phys. Rev. A 95, 032509 (2017)
[View at Publisher]

L. Konecny, M. Kadek, S. Komorovsky, O. L. Malkina, K. Ruud, and M. Repisky
Acceleration of relativistic electron dynamics by means of X2C transformation: application to the calculation of nonlinear optical properties
J. Chem. Theory Comput. 12, 5823–5833 (2016)
[View at Publisher] [Download]

M. Repisky, S. Komorovsky, R. Bast, and K. Ruud
Relativistic calculations of nuclear magnetic resonance parameters
In: Jackowski and Jaszunski (eds.) Gas Phase NMR, The Royal Society of Chemistry , 267–303 (2016)
[View at Publisher]

S. Komorovsky, M. Repisky, and L. Bucinsky
New quantum number for the many-electron Dirac-Coulomb Hamiltonian
Phys. Rev. A 94, 052104 (2016)
[View at Publisher] [Download]

B. Helmich-Paris, M. Repisky, and L. Visscher
Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians
J. Chem. Phys. 145, 014107 (2016)
[View at Publisher]

M. Repisky, L. Konecny, M. Kadek, S. Komorovsky, O. L. Malkin, V. G. Malkin, and K. Ruud
Excitation energies from real-time propagation of the four-component Dirac-Kohn-Sham equation
J. Chem. Theory Comput. 11, 980–991 (2015)
[View at Publisher] [Download]

M. Kadek, L. Konecny, B. Gao, M. Repisky, and K. Ruud
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix
Phys. Chem. Chem. Phys. 17, 22566–22570 (2015)
[Open Access]

S. Komorovsky, M. Repisky, E. Malkin, T. B. Demissie, K. Ruud
Four-component relativistic density-functional theory calculations of nuclear spin−rotation constants: relativistic effects in p‐block hydrides
J. Chem. Theory Comput. 11, 3729–3739 (2015)
[View at Publisher] [Download]

S. Gohr, P. Hrobarik, M. Repisky, S. Komorovsky, K. Ruud, and M. Kaupp
Four-component relativistic density functional theory calculations of EPR g- and hyperfine-coupling tensors using hybrid functionals: validation on transition-metal complexes with large tensor anisotropies and higher-order spin-orbit effects
J. Phys. Chem. A 119, 12892–12905 (2015)
[View at Publisher]

M. Hrda, T. Kulich, M. Repisky, J. Noga, O. L. Malkina, and V. G. Malkin
Implementation of the diagonalization‐free algorithm in the self‐consistent field procedure within the four‐component relativistic scheme
J. Comput. Chem. 35, 1725–1737 (2014)
[View at Publisher]

S. Komorovsky, M. Repisky, K. Ruud, O. L. Malkina, and V. G. Malkin
Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems
J. Phys. Chem. A 117, 14209–14219 (2013)
[View at Publisher] [Download]

E. Malkin, S. Komorovsky, M. Repisky, T. B. Demissie, K. Ruud
The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding
J. Phys. Chem. Lett. 4, 459–463 (2013)
[View at Publisher] [Download]

K.O. Hanssen, B. Schuler, A.J. Williams, T.B. Demissie, E. Hansen, J. H. Andersen, J. Svenson, K. Blinov, M. Repisky, F. Mohn, G. Meyer, J.S. Svendsen, K. Ruud, M. Elyashberg, L. Gross, M. Jaspars and J. Isaksson
A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides from Thuiaria breitfussi
Angew. Chem. Int. Ed. 51, 12238–12241 (2012)
[View at Publisher]

P. Hrobarik, V. Hrobarikova, F. Maier, M. Repisky, S. Komorovsky, and M. Kaupp
Relativistic four-component DFT calculations of 1H NMR chemical shifts in transition-metal hydride complexes: unusual high-field shifts beyond the Buckingham–Stephens model
J. Phys. Chem. A 115, 5654–5659 (2011)
[View at Publisher]

E. Malkin, M. Repisky, S. Komorovsky, P. Mach, O. L. Malkina, and V. G. Malkin
Effects of finite size nuclei in relativistic four-component calculations of hyperfine structure
J. Chem. Phys. 134, 044111 (2011)
[View at Publisher] [Download]

M. Repisky, S. Komorovsky, E. Malkin, O. L. Malkina, and V. G. Malkin
Relativistic four-component calculations of electronic g-tensors in the matrix Dirac-Kohn-Sham framework
Chem. Phys. Lett. 488, 94–97 (2010)
[View at Publisher]

S. Komorovsky, M. Repisky, O. L. Malkina, and V. G. Malkin
Fully relativistic calculations of NMR shielding tensors using restricted magnetically balanced basis and gauge including atomic orbitals
J. Chem. Phys. 132, 154101 (2010)
[View at Publisher] [Download]

M. Repisky, S. Komorovsky, O. L. Malkina, and V. G. Malkin
Restricted magnetically balanced basis applied for relativistic calculations of indirect nuclear spin-spin coupling tensors in the matrix Dirac-Kohn-Sham framework
Chem. Phys. 356, 236–242 (2009)
[View at Publisher]

S. Komorovsky, M. Repisky, O. L. Malkina, V. G. Malkin, I. Malkin-Ondik, and M. Kaupp
A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equation
J. Chem. Phys. 128, 104101 (2008)
[View at Publisher] [Download]