PhD position in machine learning for photocatalysis

Join a Revolutionary Research Initiative

The Digital Chemistry Laboratory at ETH Zurich, under the leadership of Prof. Dr. Kjell Jorner, is seeking a dedicated individual eager to contribute to pioneering advancements at the intersection of chemistry and computer science. Our mission is to accelerate chemical discovery through innovative digital tools, focusing on predicting chemical reactivity and molecular properties utilizing machine learning and artificial intelligence.

Project Overview

This project addresses the challenges of cycloaddition reactions, a vital synthetic tool for molecular complexity. With energy transfer photocatalysis (EnT) emerging as a transformative approach, we aim to overcome barriers in predicting substrate reactivity and selectivity. By developing machine learning models informed by chemistry, we will facilitate better generalization across diverse reaction conditions.

Your Role

As part of our collaborative team, your responsibilities will include:

• Developing machine learning methods to predict reactivity and selectivity in photocycloaddition reactions.
• Identifying key descriptors for photochemical reactions to enhance model generalization.
• Collaborating closely with experimental teams, notably with Prof. Dr. Frank Glorius' group, to apply models in synthetic method development.
• Contributing to teaching activities within the department.

Candidate Profile

We are looking for a passionate and motivated individual ready to advance research in digital chemistry. The ideal candidate will possess:

• A Master's degree in chemistry, chemical engineering, computational science, materials science, physics, or related fields, or a commitment to obtaining such a degree before September 1.
• Proficiency in English.
• Self-motivation and a solution-oriented mindset.
• An interdisciplinary approach and willingness to collaborate with diverse teams.
• Programming skills in languages such as Julia, Python, or R.

Additionally, experience in one or more of the following is preferred:

• Machine learning applications from academic projects.
• Quantum-chemical simulations from research endeavors.

Experience in organic synthesis is advantageous but not necessary.

Working Environment

Join a vibrant research group within ETH Zurich, where we prioritize diversity, independence, and initiative in a supportive culture. immersed in an interdisciplinary setting that fosters collaboration with ETH AI Center and NCCR Catalysis, emphasizing the integration of chemical sciences and digitalization with sustainability.

Our Commitment to Diversity

ETH Zurich is dedicated to fostering an inclusive culture. We promote equality of opportunity and ensure a working environment where the dignity and rights of all individuals are respected, allowing everyone the opportunity to thrive.

Curious About This Opportunity?

If you're excited to be part of this transformative journey, we invite you to explore further details on our website. Join us in pushing the boundaries of research in digital chemistry.