"Found in Translation": predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models
- Philippe Schwaller
- Théophile Gaudin
- et al.
- Chemical Science
Teo received the Master degree in theoretical chemistry in 2001 (University of Pisa and Scuola Normale Superiore di Pisa, Italy) and the doctorate in computational chemistry in 2006 (Scuola Normale Superiore di Pisa, Italy) defending a thesis on 'Multi-Grid QM/ MM Approaches in ab initio Molecular Dynamics' supervised by Prof. Dr. Michele Parrinello. From 2006 to 2008, Teo worked as a post-doctoral researcher in the research group of Prof. Dr. Jürg Hutter at the University of Zurich, contributing to the development of the CP2K simulation package. In 2008, Teo joined the IBM Research - Zurich Laboratory (ZRL) as Research Scientist. He is currently Distinguished Research Scientist and manager.
His research interests focus on developing machine learning/artificial intelligence technologies to digitalize chemistry and materials science, with IBM RXN for chemistry being an example of a recent community success. In 2022, the team received the Sandmeyer Award of the Swiss Chemical Society for the important contributions to the field of digital chemistry.