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:

  • Dr. Kuhan Chandru Balasanthiran (2018-2020, ChemJet fellow)

Ph.D. students:

Vladimir Palivec  Jakub Polak

  • Jakub Polák (2015/2020): Experimental and theoretical study of salting-out effect. [CV]
  • Vladimír Palivec (2016/2020): Computer modeling of glycocalyx and related model systems. [CV]

M.Sc. students:

  • Dominik Bubák (2019/2021): tba
  • Martin Melčák (2019/2021): tba
  • Adam Šrut (2019/2021): tba
  • Jakub Smutek (2018/2020):Theoretical methods in calculation of hydration free energy of hydrophobic molecules
  • Denis Zadražil (2018/2020): Computational modelling of polymer collapse transition kinetics
  • (finished) Vladimír Palivec (2015/2016): Are amides good peptide bond proxies? Molecular dynamics study of salt-specific effects. [CV, MSc_thesis]

Bc. students:

  • (finished) Martin Melčák (2018/2019): Application of a coarse-grained generic polymer model in a computational study of cononsolvency effect
  • (finished) Denis Zadražil (2017/2018): Computational modelling of rare events


  • Davide Sarpa (09/2019-06/2020): Electron transfer in system protein-Rhenium dye (Erasmus+, University of Insubria)
  • Anežka Sedmihradská (2017): Interaction of biomolecules with an active surface of a chromatography column (GACR: 16-05942S)

Former group members:

  • 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 [CV]
  • Markéta Tomandlová (Bc. thesis 2017): Densitometric determination of salt-specific effects on caffeine within Kirkwood-Buff theory. [CV]

What do we do and how – poster

There is much more to reveal in soft matter! Enthusiatic 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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