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ETH Zurich

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PhD in AI for Materials Modeling at ETH Zurich ETH Zurich in Switzerland

Degree Level

PhD

Field of study

Computer Science

Funding

Full funding available

Deadline

Jul 15, 2026

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Country

Switzerland

University

ETH Zurich

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Keywords

Computer Science
Materials Science
Molecular Dynamics
Computational Science
Density Functional Theory
Atomistic Simulation
Computational Materials
Physics
Machine learning

About this position

PhD opportunity in AI for Materials Modeling at ETH Zurich

The Materials Modeling Group at ETH Zurich, led by Prof. Malik Wagih in the Department of Materials, is inviting applications for a fully funded PhD position starting in September 2026 or by mutual agreement. The project sits at the intersection of artificial intelligence, atomistic simulation, and materials science, with a focus on accelerating the discovery and design of structural alloys through defect engineering for extreme environments such as fusion energy and space applications.

The PhD research will develop machine-learning methods for atomistic materials modeling. Possible directions include machine-learned interatomic potentials, physics-informed machine learning, and generative models. The successful candidate will join one of the group’s first doctoral students and help shape the research culture and scientific direction of the lab.

Applicants should hold a Master’s degree, or expect to complete one before the position begins, in materials science, physics, engineering, computer science, applied mathematics, or a related field. Strong programming and scientific computing skills are required, along with a strong interest in applying AI to problems in the physical sciences. Prior experience or coursework in machine learning, density functional theory, or molecular dynamics is considered an advantage. Good communication skills in English are also expected.

The position is fully funded with a competitive salary according to ETH standards and includes access to state-of-the-art computational infrastructure in an interdisciplinary and international research environment.

The application deadline is 2026-07-15. Applications must be submitted online through ETH Zurich’s portal only. Required documents include a CV, contact details for at least two referees, academic transcripts in English from all degrees (unofficial copies accepted), and a one-page statement describing your three proudest achievements and their relevance to the role.

For questions about the position, contact Prof. Malik Wagih at [email protected]. No applications by email or postal mail will be considered.

Funding details

Full funding including tuition fees and living expenses is available for this position. The scholarship covers all educational costs and provides a monthly stipend.

How to apply

Please submit your application including a cover letter, CV, academic transcripts, and contact information for two references. Applications should be sent via the online portal before the deadline.

More information can be found here

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