In this webinar, Prof. John F. Hartwig presents his latest research on using 3D machine learning models to predict regio- and stereoselectivity in homogeneous catalytic reactions. Sara Wirsing also shares practical applications of digital technologies driving reaction optimization and chemical development at Merck and across the industry.
You will learn:
- Advanced digital methods for predicting selectivity in catalytic reactions
- Key insights from leading academic research
- Real-world examples of digital innovation accelerating chemical development at Merck
Speakers
Prof. John F. Hartwig
University of California, Berkeley
Henry Rapoport Professor of Chemistry
Prof. John F. Hartwig is a distinguished chemist celebrated for his pioneering contributions to catalysis and organometallic chemistry. His seminal research on palladium-catalyzed cross-coupling reactions has profoundly impacted synthetic chemistry and pharmaceuticals, earning him numerous prestigious awards and global recognition.
Dr. Sara Wirsing
Merck
Computational Chemist
Dr. Sara Wirsing is a computational chemist at Merck, holding a PhD in chemistry with a specialisation in computational spectroscopy. Her postdoctoral research concentrated on automating the quantification of sustainability for new Merck products. Leveraging her diverse experience, she now drives interdisciplinary research projects that combine molecular modelling and data-driven solutions.
Chemistry and synthesis
- Reaction design and optimization
Duration:1h
Language:English
Session 1:presented May 22, 2025
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