PhD Monitor
/Detail
Computational Chemistry● OpenPreview

Doctoral Student in Computational Chemistry

Join ETH Zürich to research cyclic peptides and protein-binding affinity using molecular dynamics and machine learning.

Best for:Best for master's graduates in chemistry, physics, or related fields with strong Python skills and a background in molecular dynamics or machine learning.

ETH Zürich · Zurich, Switzerland · R1 · First-stage researcher
More professors at ETH Zürich
Molecular DynamicsMachine LearningCheminformaticsCyclic PeptidesComputer-Aided Drug Design
Deadline
N/A
Funding
—
Start date
early 2027
Fixed-term
Location
Zurich
Switzerland

Overview

ETH Zürich invites applications for a doctoral student position in computational chemistry within the group led by Prof. Dr. Sereina Riniker. The successful candidate will focus on developing and applying molecular dynamics simulations and machine learning techniques to study cyclic peptides, protein-binding affinity, and cell permeability. This collaborative project involves working closely with an industrial pharmaceutical partner and an experimental academic laboratory. Candidates are expected to conduct rigorous computational research, contribute to method development, and communicate effectively within an interdisciplinary team.

Computational ChemistryMolecular DynamicsMachine LearningPythonDrug DiscoveryProteinsPhD

What you'll do

  • Perform classical molecular dynamics simulations using enhanced sampling techniques
  • Apply machine learning algorithms to model protein-binding affinity and cell permeability
  • Collaborate with experimental academic labs and industrial pharmaceutical partners
  • Contribute to the development of new computational methods in cheminformatics
  • Disseminate research findings through academic presentations and peer-reviewed publications

Requirements

Degree required: MSc in computational chemistry, chemistry, biochemistry, or physics

Degree offered: PhD

Language: English; professional proficiency required

Instruction: English

Required skills
  • Proficiency in Python programming
  • Academic background in computational chemistry, chemistry, biochemistry, or physics
  • Strong communication and interpersonal skills
  • Demonstrated self-motivation and an outstanding academic record
Nice to have
Prior hands-on experience with molecular dynamics simulationsExperience applying machine learning to chemical or biological problemsFamiliarity with enhanced sampling techniques

Funding & terms

Type
Unknown
Amount
—
Duration
—
Programme
—

How to apply

Deadline: 2026-09-30

Submit your application exclusively through the ETH Zürich online application portal. Ensure you include a statement of interest, a comprehensive CV with a publication list, degree transcripts, and the contact details of two references.

Documents required
  • Statement of interest
  • CV
  • Publication list
  • BSc + MSc transcripts
  • Degree certificates
  • 2 reference letters
↗Apply on site

Contact

SR
Prof.
Sereina Riniker
Institute of Molecular Physical Science
Lab
Computational Chemistry Group
ETH Zürich
Switzerland
See the full position

Create a free profile to unlock your personal match score, the full requirements, funding details and how to apply — in English or Persian.

No card · 10 free AI match scores
Ready to apply?
Open this position on its website, or save it for later.