100%, Zurich, fixed-term
The Digital Chemistry Laboratory, led by Prof. Dr. Kjell Jorner at the Institute of Chemical and Bioengineering within the Department of Chemistry and Applied Biosciences at ETH Zurich, is associated with the ETH AI Center. We are an interdisciplinary group situated at the intersection of chemistry and computer science. Our mission is to accelerate chemical discovery using digital tools, predicting chemical reactivity and molecular properties through machine learning, artificial intelligence, computational chemistry, and cheminformatics. Our ultimate goal is the computer-aided design of molecules and catalysts.
Cycloaddition reactions are invaluable synthetic tools for constructing molecular complexity, as they can form ring systems with high atom economy, contributing to advancements in materials science and pharmaceuticals. Recently, energy transfer photocatalysis (EnT) has emerged as a transformative method for facilitating cycloadditions. However, predicting the reactivity and selectivity of substrates in EnT-catalyzed reactions remains challenging due to limited mechanistic understanding and a scarcity of experimental data.
This project aims to systematically tackle these challenges by developing chemistry-informed machine learning models for predicting selectivity and reactivity. These models will also provide valuable mechanistic insights that facilitate the generalization of selectivity trends across diverse reaction conditions and substrates. We will convert these models into user-friendly tools that will empower synthetic chemists with a robust predictive framework for accurately forecasting reaction outcomes.
The project is part of an international collaboration with the German Priority Program on the Utilization and Development of Machine Learning for Molecular Applications - Molecular Machine Learning (SPP 2363), involving close collaboration with Prof. Dr. Frank Glorius from the University of Münster, who are world-leading experts in photocatalysis and molecular machine learning. This collaboration will integrate the models into synthetic method development conducted in the Glorius group, focusing on the selection of additional reactions and their application to targets of medicinal interest.
As a PhD student in our expanding team, you will develop machine learning methods to predict the reactivity and selectivity of energy-transfer-catalyzed photocycloaddition reactions. You will also identify descriptors for photochemical reactions to improve model generalization for new substrates and reaction types. Collaboration with our experimental partners in Prof. Dr. Glorius's group will be essential. Additionally, you will contribute to the teaching activities within our department.
We are seeking a committed and motivated candidate who is eager to explore and expand the frontiers of research in digital chemistry.
You will join a dynamic and growing research group in the emerging field of Digital Chemistry within the highly motivating environment of ETH Zurich. We promote a modern and supportive group culture, valuing diversity, independence, and initiative. The position is embedded in an exciting and interdisciplinary research setting with ties to the ETH AI Center and the National Centre of Competence in Research (NCCR) Catalysis, linking chemical sciences, digitalization, and sustainability.
In alignment with our values, ETH Zurich fosters an inclusive culture. We advocate for equal opportunities, embrace diversity, and cultivate a working and learning environment that respects the rights and dignity of all our staff and students. Visit our Equal Opportunities and Diversity website to learn how we ensure a fair and open environment for everyone to thrive.
We look forward to receiving your online application until May 31, including:
Apply online using the form below. Please note that only applications matching the job profile will be considered.
ETH Zurich is one of the world-leading universities specializing in science and technology. We are renowned for our excellent education, cutting-edge fundamental research, and the direct transfer of new knowledge into society. Over 30,000 individuals from more than 120 countries find our university to be a place that fosters independent thinking and an environment that inspires excellence. Located in the heart of Europe, we forge connections worldwide to collaboratively develop solutions for today's and tomorrow's global challenges.
Location : Münster
Country : Switzerland