Johannes Kästner

Johannes Kästner is a Professor at the Institute for Theoretical Chemistry, Faculty of Chemistry, University of Stuttgart. His research focuses on theoretical chemistry, computational catalysis, and reaction dynamics, with particular emphasis on quantum tunneling and machine-learned interatomic potentials.

Kästner's work bridges quantum chemistry and materials science, developing computational methods to study reaction mechanisms in complex systems ranging from interstellar chemistry to electrochemical processes. His group creates advanced simulation frameworks to model molecular interactions in catalytic and porous materials.

Recent publications demonstrate consistent focus on developing machine learning approaches for molecular dynamics, with applications in catalyst design, astrochemistry, and materials characterization. Articles show strong thematic focus on reaction mechanisms, computational method development, and nanomaterial interactions.

Research activities involve collaborations through software frameworks like ipsuite and focus on creating transferable computational tools for the chemistry community.