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Researcher

Kristof Bal

  • Research Expertise:My research concerns the development of new simulation techniques to study matter at the atomic level. I'm currently interested in the new chemical processes and regimes at the plasma–catalyst interface, focussing on the conversion of greenhouse gasses into value-added chemicals.
  • Keywords:CHEMISTRY, SIMULATIONS, CATALYSIS, Chemistry (incl. biochemistry)
  • Disciplines:Chemical thermodynamics and energetics, Chemistry of clusters, colloids and nanomaterials, Chemistry of plasmas, Surface and interface chemistry, Catalysis, Quantum chemistry, Theoretical and computational chemistry not elsewhere classified, Reaction kinetics and dynamics
  • Research techniques:Molecular dynamics simulation, Monte Carlo methods, enhanced sampling techniques (metadynamics, hyperdynamics, and own developments), density functional theory from single molecules to condensed systems. Windows/Unix, programming (C/C++, Fortran, Python, Unix shell scripting), HPC environments, scientific software for computational chemistry (CP2K, LAMMPS, Gaussian, PLUMED, etc.). Interpretation and design of experiments.
  • Users of research expertise:(Inter)national researchers, industrial partners, journalists, schools.