PhD Position in AI for Materials Modeling

Job description

The Materials Modeling Group, established in February 2026 and led by Prof. Malik Wagih in the Department of Materials at ETH Zurich, invites applications for a PhD position at the intersection of artificial intelligence, atomistic simulation, and materials science, starting in September 2026 or by mutual agreement.

Our group develops computational methods to accelerate the discovery and design of structural alloys through defect engineering, with a particular focus on materials for extreme environments, including fusion energy and space applications. Our research combines theory, physics-based simulation, and machine learning. 

• The PhD project will develop machine-learning methods for atomistic materials modeling
• Possible research directions include machine-learned interatomic potentials, physics-informed machine learning, and generative models. The specific research question will be shaped jointly with the successful candidate

The successful candidate will join as one of the group’s first doctoral students and will have the opportunity to help shape its research culture and scientific direction.

Profile

• A Master's degree, or expected completion before the position begins, in materials science, physics, engineering, computer science, applied mathematics, or a related field
• Proficiency in programming and scientific computing
• Strong interest in developing or applying artificial intelligence methods to problems in the physical sciences
• Prior experience or coursework in machine learning, density functional theory, or molecular dynamics is advantageous
• Effective communication skills in English

We offer

• Fully funded position with competitive salary according to ETH standards
• Access to state-of-the-art computational infrastructure
• Interdisciplinary and international research environment