Physics - Research - Working groups - Computational Electronic Structure Theory - Team - Štěpán Marek
Postdoctoral Researcher
My broad focus is ab-initio electronic structure and dynamics calculations. In my PhD I investigated the conductance of molecular junctions, right now I am working on methods to describe exciton dynamics in 2D materials.
| Short CV | |
|---|---|
| 2023-present | Postdoc, University of Regensburg, RUN and Institute of Theoretical Physics |
| 2019-2023 | PhD, Charles University, Faculty of Mathematics and Physics |
| 2015-2019 | MPhys, University of Warwick, Department of Physics |
Bibliography
- Marek, Štěpán, Wulfhekel, Wulf, Evers, Ferdinand and Korytár, Richard (2026) Helical orbitals in electrical unidirectional molecular motors.
Phys. Rev. Res.: 8, P. 013270.
https://dx.doi.org/10.1103/zx3k-hkph - Marek, Štěpán and Wilhelm, Jan (2025) Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe–Salpeter Equation.
Journal of Chemical Theory and Computation: 21 (19), P. 9814-9822.
https://dx.doi.org/10.1021/acs.jctc.5c01246 - Pabi, Biswajit, Marek, Štěpán, Klein, Tal, Thakur, Arunabha, Korytár, Richard and Pal, Atindra Nath (2025) Unconventional Electromechanical Response in Ferrocene-Assisted Gold Atomic Chain.
Nano Letters: 25 (36), P. 13511-13518.
https://dx.doi.org/10.1021/acs.nanolett.5c02915 - Marek, Štěpán and Korytár, Richard (2024) Widening of the fundamental gap in cluster GW for metal–molecular interfaces.
Phys. Chem. Chem. Phys.: 26, P. 2127-2133.
https://dx.doi.org/10.1039/D3CP04082H - Pabi, Biswajit, Marek, Štěpán, Pal, Adwitiya, Kumari, Puja, Ray, Soumya Jyoti, Thakur, Arunabha, Korytár, Richard and Pal, Atindra Nath (2023) Resonant transport in a highly conducting single molecular junction via metal—metal covalent bond.
Nanoscale: 15 (31), P. 12995—13008.
https://dx.doi.org/10.1039/d3nr02585c
