PhD position in computer-aided catalyst design

at  ETH Zrich

JOB DESCRIPTION

As a PhD student in our growing team, you will perform quantum-chemical simulations using the Chemoton autonomous reaction simulation software to generate large datasets for catalyzed chemical reactions. Building on the generated data, you will work with our collaborators in computer science and applied mathematics to develop state-of-the art generative machine learning models to design improved catalysts for these reactions.

YOUR PROFILE

We are looking for a committed and motivated candidate that is excited to push the boundaries of research in computer-aided catalyst design.

Essential experience, skills, and characteristics:

• A Master’s degree in chemistry, chemical engineering, computational science, physics, or related fields, or expectation of obtaining such a degree before September 2024.
• English proficiency.
• Self-motivation, ability to work independently and solution-oriented mentality.
• Interdisciplinary and collaborative mindset and desire to work with people from different disciplines and backgrounds.
• Programming experience using languages such as Julia, Python, R, etc.

Desirable criteria:

• Experience of quantum-chemical simulations from research projects or thesis
• Experience of applying machine learning from research projects or thesis
• Familiarity with reactions mechanisms and their description through transition state theory

Please refer the Job description for details