Open PhD position in computational chemistry

Job Description:

Your responsibilities

The PhD project will focus on developing and applying novel, accurate approaches for studying functional catalytic compounds. A potential direction involves creating advanced dynamic methods for detailed and realistic analysis of reaction mechanisms and networks, considering environmental effects under catalytic conditions. This includes developing enhanced sampling techniques and machine learning approaches.

Our group has extensive experience in modeling reactions using DFT-MD, catalysis (e.g., water splitting), spectroscopy, excited states, and developing methodologies within the CP2K package.

The project may involve collaboration with experimental and computational groups, such as within the NCCR Catalysis.

Your profile

The candidate should hold an excellent Master’s degree in chemistry, interdisciplinary natural sciences, physics, or related fields, with strong English skills and the ability to learn autonomously. The ideal candidate will be creative, ambitious, motivated, with strong programming skills, and good knowledge of electronic structure theory, (ab initio) molecular dynamics, catalysis, and machine learning.

What we offer

We provide a dynamic, inspiring environment in a new building with advanced resources and research facilities, access to supercomputers, and opportunities for interdisciplinary collaboration. Funding for participation in summer schools, conferences, and similar activities is available.