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The meeting gathered computational and experimental chemists from around the world who have collaborated with Odile. Several Hylleraas members participated in the meeting.
Place of presentation: Sete, France at the 2nd-6th June 2024.
Presentataions
Chair of a session: Trygve Helgaker
Oral presentations
Michelle Cascella: “Grignard chemistry revisited: multscale perspective”.
Ainara Nova: “Exploring the Potential of Bifunctional Catalysts”.
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Poster presentations
- Marco Bortoli: "Empowering Grignard Reagents with Machine Learning".
The poster was about how I managed to describe the reactivity of Grignard reagents using machine learned potentials and an active learning procedure. - Arron Burnage: “Cross-Coupling Catalysts for Inactive Substrates from a Three-Dimensional Virtual Screening”.
- Sondre Hilmar: “Machine learned potential for Organolithium compounds in THF”.
- Marinella De’Giovanetti: “Towards an understanding of Turbo Grignard reagents: structural information from AIMD studies“.
- Aurore Denjean: “Computational insights into Graphene-based Single Atom Nickel Catalysts for Amine Alkylation via Borrowing Hydrogen Mechanism”.
- Inga Schmidtke: "Computational insights into ethylene hydrogenation via Rh(III)-dimers".
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