PhD Monitor
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Computational Chemistry● OpenPreview

Doctoral Student in Computational Chemistry

Join ETH Zurich for a PhD position developing molecular dynamics and machine learning methods for drug discovery.

Best for:Best for master's graduates in computational chemistry or related disciplines with strong Python programming and molecular dynamics experience.

ETH Zurich · Zurich, Switzerland · R1 · First-stage researcher
More professors at ETH Zurich
Molecular DynamicsCheminformaticsMachine LearningComputer-Aided Drug DesignPeptide Conformation
Deadline
—
Funding
—
fixed-term
Start date
early 2027
Full-time
Location
Zurich
Switzerland

Overview

ETH Zurich invites applications for a doctoral student position in computational chemistry within the Institute of Molecular Physical Science. Supervised by Prof. Dr. Sereina Riniker, the successful candidate will focus on method development for classical molecular dynamics simulations and cheminformatics. The research project is conducted in collaboration with a pharmaceutical company and an experimental academic lab, targeting cyclic peptides, protein-binding affinity, and cell permeability. The appointee is expected to engage in rigorous research, collaborate with international teams, and contribute actively to academic and industrial objectives.

PhDComputational ChemistryMolecular DynamicsPythonDrug DiscoveryETH Zurich

What you'll do

  • Conduct classical molecular dynamics simulations incorporating enhanced sampling techniques.
  • Apply machine learning algorithms to address biological and chemical research questions.
  • Collaborate closely with an industrial pharmaceutical partner and an experimental academic laboratory.
  • Contribute to computer-aided drug design investigations focusing on cyclic peptides and cell permeability.
  • Communicate research findings effectively through reports, presentations, and collaborative discussions.

Requirements

Degree required: M.Sc. in computational chemistry, chemistry, biochemistry, or physics

Degree offered: PhD

Language: Proficiency in English

Instruction: English

Required skills
  • Master's degree in computational chemistry, chemistry, biochemistry, or physics
  • Proficiency in English communication
  • Demonstrated self-motivation and academic excellence
Nice to have
Prior hands-on experience with molecular dynamics simulationsExperience applying machine learning methodsStrong programming proficiency in Python

Funding & terms

Type
Unknown
Amount
—
Duration
fixed-term
Programme
—

How to apply

Deadline: 2026-09-30

Prepare all required application documents including a statement of interest, CV, transcripts, and references. Submit the application exclusively through the ETH Zurich online application portal before the specified deadline. Email or postal submissions will not be reviewed.

Documents required
  • Statement of interest
  • Comprehensive CV and publication list
  • 2 reference letters
  • Degree certificates and transcripts
↗Apply on site

Contact

SR
Prof.
Sereina Riniker
Institute of Molecular Physical Science
Lab
Computational Chemistry Group
ETH Zurich
Switzerland
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