Doctoral Student in Computational Chemistry

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

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

• 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.