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Thanja Lamberts, PhD

Post-Doc in the Group of Prof. Dr. J. Kästner

Room 1.833
Phone +49-(0)711-685 64833
Telefax +49-(0)711-685 64442
E-Mail E-Mail
Adress Universität Stuttgart
Institut für Theoretische Chemie
Pfaffenwaldring 55
D-70569 Stuttgart

LT17

 

Research Areas:

As an Alexander von Humboldt postdoctoral fellow in the group of Prof. Dr. J. Kästner, I calculate reaction rate constants at low temperatures. To overcome activation barriers in these conditions, tunneling needs to be taken into account. I apply instanton theory to quantify the contribution of quantum mechanical tunneling to the rate constants – in particular for hydrogen and deuterium species. I treat the interactions between the reactants at the quantum chemical level of theory and account for the interaction with the surface using cluster models and/or molecular force fields.

During my PhD with Prof. Dr. H. Linnartz I have worked on experimental surface astrochemistry using ultra-high vacuum and cryogenic technology in order to mimic the physical conditions in the interstellar medium. More specifically, I studied various reactions that are relevant to water and deuterated water formation on the surface of dust grains in dense molecular clouds.

While confirmation or exclusion of reaction pathways is possible in experiments like these, it is nearly impossible to disentangle the relative importance of individual elemental processes, e.g., adsorption, diffusion, dissociation, recombination and desorption. Therefore, I have performed kinetic Monte Carlo (kMC) simulations in collaboration with Dr. H. Cuppen. Using kMC, the elemental processes can be modeled by individual rates. 

Starting in January 2018 I will work as a Veni laureate in the group of Dr. Jörg Meyer at the Leiden Institute of Chemistry on the topic of heat dissipation after reaction in interstellar ice analogs.

Publications:

Google Scholar

Curriculum Vitae as pdf

Full version available on request.

PhD Thesis as pdf