We combine
Computer Simulations and Experimental Physico-Chemical Techniques
to gain insight into Complex Systems

Junior Scientists:

honza_foto  daniel_foto

  • Dr. Jan Heyda [CV]
  • Dr. Daniel Ondo [CV]

Post Docs:

Ph.D. students:

  Jakub Polak

  • Jakub Polák (2015/2023): Experimental and theoretical study of salting-out effect. [CV]
  • Jakub Smutek (2021/2024): Development of a statistical mechanics model for the description of large ions. Co-supervised by Prof. Dominik Horinek (Uni. Regensburg) [CV]
  • Martin Melčák (2021/2024): Preferential interactions of osmolytes with soft matter [CV]

M.Sc. students:

  • Gabriela Želonková (2022/2024): tba.
  • Tereza Dolečková (2021/2023): Theoretical investigation of salting out effect of selected ethers

Bc. students:

  • Hi, here are free slots! There are so many interesting ideas to be (dis)proved by You 🙂


  • Will be happy to host eligible students within frameworks, such as:
    Erasmus+, IAESTE, RISE or set ad-hoc internship …
    If you are interested, please contact me via email.

Former group members:

  • Dominik Bubák (MSc. 2022): Interactions in aqueous urea-betaine solutions
  • Gabriela Želonková (Bc. 2022): Theoretical study of neopentanols hydration
  • Adam Šrut (MSc. 2021): Towards solvent specific effects in IR spectra of Re(bpy)(CO)3Cl complex
  • Martin Melčák (MSc. 2021, Bc. 2019): Application of a coarse-grained generic polymer model in a computational study of cononsolvency effect; Cononsolvency consequences at finite polymer concentration
  • Davide Sarpa (Erasmus+, 2019/20): Electron transfer in protein-Rhenium dye system (University of Insubria)
  • Dr. Kuhan Chandru Balasanthiran (ChemJet fellow, 2018/20)
  • Jakub Smutek (MSc. 2020): Theoretical methods in calculation of hydration free energy of hydrophobic molecules
  • Denis Zadražil (Bc. 2017, MSc. 2020): Computational modelling of rare events; Computational modelling of polymer collapse transition kinetics
  • Emil Pavelka (Bc. 2019): Salting out effect in systems with Lennard-Jones interactions
  • Adam Kovalčík (Bc. 2017, MSc. 2019): Thermodynamic behavior of poly-N-isopropylacrylamide in water and aqueous electrolyte solutions; Thermodynamic insight to the collapse of poly-N-isopropylacrylamide in water and in aqueous salt and surfactant solutions
  • Anežka Sedmihradská (internship 2017): Interaction of biomolecules with an active surface of a chromatography column (GACR: 16-05942S)
  • Markéta Tomandlová (Bc. 2017): Densitometric determination of salt-specific effects on caffeine within Kirkwood-Buff theory.
  • Vladimír Palivec (MSc. 2016): Computer modeling of glycocalyx and related model systems.

What do we do and how – poster

There is much more to reveal in soft matter! Enthusiastic students are always welcome!
For inspiration see the list of offered Bc. / M.Sc. / Ph.D. topics – link

For Internships and Seminar Works in theoretical chemistry, write me an email.


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