Title at NITech

Professor (23rd Nov. 2019 – 7th Dec. 2019)

Affiliation, Institution or University

Friedrich-Alexander Universität Erlangen-Nürnberg, Germany

Introduction

Major Field:

Computational Chemistry

Topics of Joint Research:

Surface Chemistry, Heterogeneous Catalysis, Reaction Mechanism Study

Classes in Charge at NITech:

The research in the group of Bernd Meyer is focused on the study of structural and chemical properties of surfaces and interfaces. Atomistic first-principles electronic structure calculations based on density-functional theory and molecular dynamics simulations are combined with thermodynamic and kinetic modeling to obtain insights into the interaction of molecules with surfaces, the thermodynamic stability of surface and adsorbate structures, surface reactivity, the modification of surface properties by adsorbates, the kinetics of chemical surface reactions and the mechanisms of chemical processes, in particular related to heterogeneous catalysis, surface functionalization, the formation of nanostructures at surfaces, the growth and self-organization of molecular films, and the dynamics of adsorbate layers. A special aim of our work is to identify relevant surface structures and chemical processes for varying experimental conditions, ranging from ultra-high vacuum, to typical reaction conditions in heterogeneous catalysis, to reactive solid/liquid interfaces. The group of Bernd Meyer is also actively developing new methods and computer codes for first-principles density-functional theory calculations and semiempirical tight-binding models for atomistic simulations in chemistry and materials science.

URL:
https://www.chemistry.nat.fau.eu/ccc/groups/meyer-group/