Ph.D. position available

Milan Předota Group: Computer simulations of aqueous solutions and interfaces

Department of Physics, Laboratory of computer simulations, contact:

We study properties of aqueous solutions and interactions of water, ions and organic molecules and biomolecules with surfaces. Our simulations provide molecular-level understanding of observed macroscopic data – e.g. adsorption isotherms, surface charging, electrokinetic phenomena (electrophoresis, electroosmosis), nonlinear optics (second harmonic scattering, sum frequency generation), X-ray and neutron scattering. Mostly classical molecular dynamics simulations, together with advances sampling techniques (potential of mean force, metadynamics) are used, but ab initio calculations and ab initio molecular dynamics are also used to parameterize and verify our models. Our goal is explanation of physical phenomena using computer simulations and improved accuracy of predictions of computer simulations.


  • Master’s degree in Physics, Biophysics, Chemistry or related fields
  • proficiency in English
  • ability to interact with experimentalists at collaborating international laboratories.
  • openness to learn new techniques, work on remote linux computer clusters, programming of task-oriented analysis tools
  • active attitude to problem-solving and work in a team, independent thinking
  • passion for science.

 Suggested topics of Ph.D. theses in Biophysics:

  • Computer simulations of non-linear optics (Second Harmonic Scattering, Sum Frequency Generation)
  • Simulations of multi-valent and molecular ions applying Electronic Continuum Correction
  • Molecular Modelling of Capacitive Deionisation
  • Ion exchange thermodynamics – computational calorimetry

Information and application form

Further information for prospective students

Information about doctoral programme in Biophysics

Informace pro studenty v českém jazyce (information for students in the Czech programme)

Informace o doktorském programu Biofyzika