项目介绍

2025年2月5日

A 4-year PhD student position is available in the Luber group at the Department of Chemistry at University of Zurich (Switzerland).

Our group focuses on forefront computational methods at the interface of chemistry, biology, physics, and materials science. For more details, see our group’s website

Your responsibilities

The PhD project will deal with development and application of novel, accurate approaches for the study of functional catalytic compounds. A possible direction of the project is the development of advanced dynamic approaches for detailed and realistic study of reaction mechanisms and reaction networks considering in a sophisticated manner environmental effects (also under catalytic conditions). This can include the development of advanced enhanced sampling and machine learning approaches.

Our group has broad experience in modelling of reactions using DFT-MD, catalysis (such as water splitting), spectroscopy, excited states, and development of various other methodologies (e.g. in the CP2K package).

The project(s) may be carried out in close collaboration with experimental or other computational groups, for instance within the NCCR catalysis.

Your profile

The candidate must hold an excellent Master’s degree in chemistry, interdisciplinary natural sciences, physics, or related, and have profound English and autonomous learning ability skills. The successful candidate will be highly creative, ambitious, and motivated. Strong programming skills and very good knowledge about electronic structure theory, (ab initio) molecular dynamics, catalysis, and machine learning are an advantage.

Information on your application

Interested applicants are encouraged to submit their application documents (cover letter, CV, diplomas, description of research experience and motivation, names of at least two academic references) as one pdf document. The pdf can also include a one-page statement discussing one or two publications of the group with respect to what the applicant finds particularly interesting and what could be possible future improvements of the research described in the publication(s).

Questions about the job

Prof. Dr. Sandra Luber