CV
Curriculum Vitae of Tomáš Jíra, Ph.D.
Contact Information
| Name | Tomáš Jíra, Ph.D. |
| tomas.jira@vscht.cz |
Experience
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2022 - present Prague, Czech Republic
Research/Teaching Position
University of Chemistry and Technology, Prague
- Performed nonadiabatic molecular dynamics using ABIN, Bagel, Molpro and ORCA.
- Implemented custom software for quantum dynamics and electronic structure methods.
- Taught undergraduate mathematics courses.
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2026 - 2026 Kiel, Germany
Research Internship
Christian-Albrechts University of Kiel
- Implemented spin-diabatic surface hopping for spin-orbit transitions in Newton-X.
- Performed CP2K solid-state pyrazine simulations under Prof. Anna Hehn.
- Collaborated within the Group of Theoretical Spectroscopy and Heterogeneous Catalysis.
Education
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2022 - 2026 Prague, Czech Republic
Ph.D.
University of Chemistry and Technology, Prague
Chemistry
- Dissertation: Computational Strategies for Nonadiabatic Molecular Dynamics
- Supervisor: Prof. Petr Slavíček
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2020 - 2022 Prague, Czech Republic
M.Sc.
University of Chemistry and Technology, Prague
Physical Chemistry
- Thesis: Simulation and Data Analysis of Emission Lab Round Robin Tests
- Supervisor: Dr. Pavel Kříž
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2017 - 2020 Prague, Czech Republic
B.Sc.
University of Chemistry and Technology, Prague
Chemical Engineering
- Thesis: Analysis of the Data from the Electron Microscope using Stochastic Model
- Supervisor: Dr. Markéta Zikmundová
Technical Skills
Programming Languages: C++, C, Zig, Python, Julia, Rust
Scientific Software: ORCA, Molpro, Gaussian, ABIN, Newton-X, CP2K, Libint2, LibXC, FFTW3, OpenBLAS
Systems & Environments: Arch Linux, HPC Clusters, LaTeX, Neovim
Languages: Czech (Native), English (Fluent)
Projects
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Zinq
Open-source software for quantum dynamics and electronic structure methods.