Molecular simulations of the environment processes

The scientific activities of the "Molecular Simulations of Environmental Processes" research team focus on the study of degradation processes of volatile organic compounds and contaminants emitted into the atmosphere, and their transfer into the various environmental domains (air, water, soil).

The use of theoretical chemistry tools, combined with statistical thermodynamics and appropriate kinetic theories, enables a better understanding of the impact of these processes in the environment.

The team's expertise in this field stems not only from the skills it has developed, but also from its numerous international collaborations (Slovakia, Vietnam, USA, Canada) with both experimentalists and theoreticians.