About

SurfReact is a theoretical chemistry group at the Department of Physical Chemistry, Faculty of Science, Palacký University Olomouc, Czechia.

We use computational methods to understand how chemical reactions proceed at the interfaces of solid surfaces — the environment where most industrial catalysis, electrochemistry, and atmospheric surface chemistry takes place. Our toolbox spans density functional theory, machine-learned interatomic potentials, ab initio molecular dynamics, and microkinetic modelling.

What drives us

Experiments can tell you that a surface reaction happens; theory can tell you why and how fast, atom by atom. We aim to close that gap, to build models accurate enough to be predictive and cheap enough to explore realistic interfaces — defects, coverage effects, solvents and all.

Collaboration

We work closely with experimental surface-science and catalysis groups in Olomouc and across the globe. If you have a surface reaction you cannot explain, we would love to hear about it — write to adam.matej [at] upol.cz.

Where to find us

Department of Physical Chemistry, Faculty of Science
Palacký University Olomouc
17. listopadu 12, 779 00 Olomouc, Czechia