Jules Schleinitz

California Institute of Technology — United States

Materials Science · Physical Sciences

7h-index269citations46works1.92yr avg
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Research Topics

Crystallization and Solubility Studies(13), X-ray Diffraction in Crystallography(12), Magnetism in coordination complexes(7), Lanthanide and Transition Metal Complexes(7), Machine Learning in Materials Science(7)

Publications46 total

ChemOrch: Empowering LLMs with Chemical Intelligence via Synthetic Instructions
arXiv (Cornell University)·2025Open Access
ChemHGNN: A Hierarchical Hypergraph Neural Network for Reaction Virtual Screening and Discovery
arXiv (Cornell University)·2025Open Access
Designing Target-specific Data Sets for Regioselectivity Predictions on Complex Substrates
Journal of the American Chemical Society·2025· 6 citedOpen Access
Oxidative Addition of Nitro-Perylenediimide onto Palladium(0): A Theoretical and Experimental Study
Organometallics·2024· 1 citedOpen Access
Designing Target-Specific Datasets for Regioselectivity Predictions on Complex Substrates
2024· 1 citedOpen Access
Tailoring Datasets for Regioselectivity Predictions on Complex Substrates
2024· 1 citedOpen Access
Site‐Selective Radical Aromatic C−H Functionalization of Alloxazine and Flavin through Ground‐State Single Electron Transfer
Angewandte Chemie·2024· 2 citedOpen Access
Site‐Selective Radical Aromatic C−H Functionalization of Alloxazine and Flavin through Ground‐State Single Electron Transfer
Angewandte Chemie International Edition·2024· 4 citedOpen Access
Dataset Design for Building Models of Chemical Reactivity
ACS Central Science·2023· 74 citedOpen Access
CCDC 2125599: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
CCDC 2125596: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
CCDC 2178080: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
Assessing the Extent of Potential Inversion by Cyclic Voltammetry: Theory, Pitfalls, and Application to a Nickel Complex with Redox-Active Iminosemiquinone Ligands
Inorganic Chemistry·2023· 17 citedOpen Access
Mechanistic studies & machine learning
theses.fr (ABES)·2022Open Access
Machine Learning Yield Prediction from NiCOlit, a Small-Size Literature Data Set of Nickel Catalyzed C–O Couplings
Journal of the American Chemical Society·2022· 79 cited
CCDC 2192013: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2192010: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2192012: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Guidelines for Machine Learning Yield Prediction from Small-Size Literature Dataset
2022· 1 citedOpen Access
A Single Bioinspired Hexameric Nickel Catechol–Alloxazine Catalyst Combines Metal and Radical Mechanisms for Alkene Hydrosilylation
Chemistry - A European Journal·2022· 9 citedOpen Access
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Frequent Co-authors

Jules Moutet(21), Grégory Nocton(21), Maxime Tricoire(20), Thomas Simler(20), Boris Le Guennic(20), Olivier Cador(20), Carine Clavaguéra(19), Laurence Grimaud(18), Léo La Droitte(17), Fabrice Pointillart(17), Frédéric Gendron(17), Nolwenn Le Breton(13), Sylvie Choua(13), Marine Desage‐El Murr(13), Agnideep Das(8), Cheriehan Hessin(7), Aurélie Guénet(6), Guillaume Rogez(6), Sarah E. Reisman(5), Ilaria Ciofini(5)