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 at the forefront of innovation. Associated with the ETH AI Center, our interdisciplinary team bridges the gap between chemistry and computer science, aiming to accelerate chemical discovery through digital tools. We leverage machine learning, artificial intelligence, computational chemistry, and cheminformatics to predict chemical reactivity and molecular properties, with the ultimate goal of computer-aided design of molecules and catalysts.
Cycloaddition reactions represent a valuable synthetic tool for constructing molecular complexity, allowing the formation of ring systems with high atom economy. These reactions are pivotal in driving progress in fields such as materials science and pharmaceuticals. Recently, energy transfer photocatalysis (EnT) has emerged as an innovative method to facilitate these cycloadditions. Nonetheless, the reactivity and selectivity of substrates in EnT-catalyzed reactions remain challenging to predict due to limited mechanistic understanding and sparse experimental data.
This project aims to systematically tackle these challenges by developing machine learning models that are informed by chemistry for predicting selectivity and reactivity. These models are also designed to provide mechanistic insights, enabling the generalization of selectivity trends across a variety of reaction conditions and substrates. Furthermore, we aim to transform these models into user-friendly tools that empower synthetic chemists with a robust framework for accurately predicting 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). This collaboration involves working closely with the group of Prof. Dr. Frank Glorius from the University of Münster, who are recognized experts in photocatalysis and molecular machine learning. The collaboration will include the application of models in synthetic method development carried out in the Glorius group, encompassing the selection of reactions and their application to medicinally relevant targets.
As a PhD student in our expanding team, you will develop machine learning methodologies to predict the reactivity and selectivity of energy-transfer-catalyzed photocycloaddition reactions. Your role will further include identifying descriptors for photochemical reactions that enhance model generalization to new substrates and reaction types. Close collaboration with our experimental partners in Prof. Dr. Glorius's group will be essential, and you will also contribute to the teaching activities within our department.
We are seeking a dedicated and enthusiastic candidate eager to push the boundaries of research in digital chemistry.
You will join a dynamic and growing research group in the emerging field of Digital Chemistry within the motivating environment of ETH Zurich. We promote a modern and supportive group culture that values diversity, independence, and initiative. The position offers an exciting, interdisciplinary research atmosphere, with connections to the ETH AI Center and the National Centre of Competence in Research (NCCR) Catalysis, merging chemical sciences, digitalization, and sustainability.
A competitive salary will be provided according to Rate 2 of the Doctoral student salary ladder.
In alignment with our core values, ETH Zurich actively encourages an inclusive culture. We are committed to promoting equality of opportunity and nurturing a working and learning environment that respects the rights and dignity of all staff and students. Visit our Equal Opportunities and Diversity website to learn more about how we maintain a fair and open environment conducive to growth and success.
We invite you to apply online using the form below. Applications will be considered only if they match the job profile. The submission deadline is May 31, and we ask that your application includes:
For further inquiries about the position, please contact Prof. Dr. Kjell Jorner via email at kjell.jorner@chem.ethz.ch. Please note that only applications matching the job profile will be considered.
ETH Zurich is one of the world's leading universities specializing in science and technology. We are renowned for our excellent education and cutting-edge research, and we are committed to facilitating the transfer of new knowledge into society. With over 30,000 members from more than 120 countries, our university is a hub for independent thinking and excellence. Located in the heart of Europe while forging global connections, we work collaboratively to address today's and tomorrow's global challenges.
Location : Münster
Country : Switzerland