Doctoral Student in Computational Chemistry

1000scholars; Zürich; On-site; CHF 48,000 - 56,000; Full time

Job summary

ETH Zürich invites applications for a Doctoral Student in Computational Chemistry in Prof. Dr. Sereina Riniker's group.

The project focuses on methodology for classical MD simulations and cheminformatics, with collaboration with a pharmaceutical company and an academic lab. Requirements include an MSc in a relevant field, experience with MD simulations, ML, and Python, and proficiency in English. Preferred start is early 2027, offering research in computational chemistry and drug design within

Qualifications

• MD simulations experience and enhanced sampling
• Machine learning experience relevant to cheminformatics
• Proficient in Python programming and software development

Responsibilities

• Conduct MD simulations with enhanced sampling techniques and ML components.
• Collaborate with pharma and academic labs on cyclic peptides, protein-binding, and permeability topics.
• Communicate results clearly in English and participate in group discussions.

Skills

Molecular dynamics simulations

Machine learning

Python programming

English proficiency

Communication skills

Social competence

Education

MSc in computational chemistry/chemistry/biochemistry/physics

Job description

Doctoral Student in Computational Chemistry

100%, Zurich, fixed-term

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.

Project background

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.

Job description

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

Profile

• 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.

We offer

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 value diversity and sustainability

In line with our values, ETH Zurich encourages an inclusive culture. We promote equality of opportunity, value diversity and nurture a working and learning environment in which the rights and dignity of all our staff and students are respected. Visit our Equal Opportunities and Diversity website to find out how we ensure a fair and open environment that allows everyone to grow and flourish. Sustainability is a core value for us – we are consistently working towards a climate-neutral future.

Curious? So are we.

Preferred starting date: early 2027.

About ETH Zürich

ETH Zurich is one of the world’s leading universities specialising in science and technology. We are renowned for our excellent education, cutting-edge fundamental research and direct transfer of new knowledge into society. Over 30,000 people from more than 120 countries find our university to be a place that promotes independent thinking and an environment that inspires excellence. Located in the heart of Europe, yet forging connections all over the world, we work together to develop solutions for the global challenges of today and tomorrow.