April 10 - 14, 2023
San Francisco, California
2023 MRS Spring Meeting & Exhibit
MD01.12.07
Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning
When and Where
Apr 25, 2023
9:40pm - 9:45pm
9:40pm - 9:45pm
MD01-virtual
Presenter(s)
Co-Author(s)
Alessandra Toniato1,2,3,Jan Unsleber2,3,Alain Vaucher1,3,Thomas Weymuth2,3,Daniel Probst1,3,Teodoro Laino1,3,Markus Reiher2,3
IBM Research Zurich1,ETH Zürich2,National Center for Competence in Research-Catalysis3
Keywords
chemical synthesis
Symposium Organizers
Mathieu Bauchy, University of California, Los Angeles
Ekin Dogus Cubuk, Google
Grace Gu, University of California, Berkeley
N M Anoop Krishnan, Indian Institute of Technology Delhi
Symposium Support
Bronze
Patterns and Matter, Cell Press
Patterns and Matter, Cell Press
Session Chairs
Ekin Dogus Cubuk
Daniel Lim