PhD Positions in Data-Driven Multiscale Simulation of Amorphous Materials for Sustainable Catalysis and Energy Conversion Empa in Switzerland

Empa, a leading research institution within the ETH Domain, is offering two PhD positions focused on the development of data-driven, multiscale simulation methods for amorphous materials. These materials are crucial for sustainable catalysis and energy conversion, yet their disordered atomic structures present significant scientific challenges. The four-year SNF-funded project aims to advance computational approaches by integrating computer simulations, machine learning, and surrogate modeling to unravel how local atomic structures impact material properties and catalytic behavior.

As a PhD student, you will gain hands-on experience with cutting-edge computational techniques and contribute to a predictive understanding of disordered materials. The research will have direct applications in areas such as CO₂ conversion, supporting the advancement of sustainable chemical processes. You will be part of a multidisciplinary team, working at the intersection of materials science, machine learning, and catalysis, and have the opportunity to make groundbreaking discoveries that push the boundaries of scientific knowledge.

Empa provides a stimulating research environment with access to state-of-the-art computational infrastructure and internationally competitive employment conditions. The positions are embedded within the ETH Zürich doctoral program, ensuring strong support for both personal and professional development. The institution values inclusion, respect, and the generation of novel ideas through collaboration and synergy.

Applicants should possess an MSc degree in Physics, Computational Chemistry, Materials Science, Computer Science, or a related discipline. Essential qualifications include a solid theoretical background, strong programming skills, experience with numerical methods, and proven expertise in machine learning and data-driven modeling. The ability to work independently and collaboratively in an interdisciplinary setting, along with excellent English language skills, is required. Prior experience in atomistic simulations and catalysis is advantageous.

The positions are available from April 1st, 2026, or upon agreement. Interested candidates are encouraged to apply online via the provided application link. This is a unique opportunity to join a vibrant research community and contribute to innovative, sustainable, and meaningful scientific activities.