Doctoral Student in Computational Chemistry

Prof. Dr. Sereina Riniker's group for Computational Chemistry at the Institute of Molecular Physical Science is interested in the development of methodology for classical molecular dynamics simulations and cheminformatics, and in the application of those methods to address challenging biological and chemical questions.

The main Doctroal project will be in collaboration with a pharmaceutical company and an experimental academic lab focusing on cyclic peptides, protein-binding affinity, and cell permeability.

• The project will involve molecular dynamics (MD) simulations including enhanced sampling techniques as well as machine learning.

• Applicants should hold a M.Sc. in computational chemistry, chemistry, biochemistry, or physics.
• Experiences with molecular dynamics (MD) simulation, machine learning, and strong programming skills (Python) are highly advantageous.
• Proficiency in English.
• Good communication skills.
• Good social competence.

We welcome self-motivated candidates with outstanding academic record, excellent communication skills and professional integrity to apply. 

The project offers research and training in computational chemistry and computer-aided drug design. Group members will not only have the opportunities to work with cutting-edge resources in a collaborative environment but also to co-work with international faculty and researchers in academia and industry, stimulating creative ideas and research opportunities.

We look forward to receiving your online application until September 30, 2026 with the following documents:

• Statement of interest
• Comprehensive CV and publication list
• Names and contact information of two references
• Copies of degree certificates and transcripts

Further information about the Computational Chemistry Group can be found on our website. Questions regarding the position should be directed to Prof. Dr. Sereina Riniker ([email protected]) (no applications). 

Please note that we exclusively accept applications submitted through our online application portal. Applications via email or postal services will not be considered.

Because the project involves collaborating with other humans, we expect you to be able to communicate effectively on your own. Please do not use any AI assistance other than proofreading tools when preparing your application for this position. 

We would like to point out that the pre-selection is carried out by the responsible recruiters and not by artificial intelligence.

Preferred starting date: early 2027.