Open PhD position in computational chemistry 80 %

Open PhD position in computational chemistry 80 %

Start of employment by agreement

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

Your responsibilities

Our research operates at the interface of chemistry, biology, physics, and materials science, combining rigorous method development with impactful applications. We are particularly interested in strengthening our activities in (machine learning (ML)–enhanced) catalysis and spectroscopy.
The project will focus on advanced computational method development together with forefront applications. Possible directions include, among others:

• (ML-assisted) approaches for enhanced sampling
• (ML-enhanced) vibrational and electronic spectroscopy
• Embedding approaches for complex and catalytic systems
• ML approaches for complex liquids/interfaces

The precise topic will be defined in discussion with the successful candidate, based on their interests/input and expertise.
The project offers close collaboration with experimental and computational groups e.g. within the NCCR Catalysis network, providing a highly interdisciplinary and stimulating research environment.

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 experience in electronic structure theory / (ab initio) molecular dynamics / catalysis / machine learning are highly desirable.

We offer a vibrant, inspiring environment in a brand-new building with cutting-edge resources and research, access to world-leading supercomputers, and high-profile interdisciplinary collaborations. Funding for the participation at summer schools, conferences etc. is also available.

Information on your application

Interested applicants are encouraged to send 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).

www.luber-group.com

Job details

Title
Open PhD position in computational chemistry 80 %

Employer
University of Zurich

Location
Rämistrasse 71 Zurich, Switzerland

Published
2026-04-22

Application deadline
Unspecified

Job type
PhD

Field
Computational Chemistry, Catalysis, Spectroscopy, Machine Learning, Theoretical Chemistry,
Photochemistry,
Molecular Chemistry,
Materials Chemistry,
Physical Chemistry,
Chemical Physics,
Computational Physics,
Artificial Intelligence