CV

Jules Schleinitz, Ph. D.

Detailed CV

Postdoctoral Scholar, California Institute of Technology, Pasadena, USA

📞 Contact

• Phone: +1 626 590 1644
• Email: jul@caltech.edu

🎓 Education

• California Institute of Technology – Postdoc, 2022 – Present
• École Normale Supérieure – PSL – Ph.D. Molecular Chemistry, 2022
• Sorbonne Université – M.S. Theoretical Chemistry, 2019
• Université Paris Saclay – M.S. Teaching Chemistry (Agrégation), 2017
• École Normale Supérieure – B.S. Chemistry, 2015
• Lycée Thiers – PSCI/PC* admission to ENS Ulm, 2014

🧪 Professional Summary

I transitioned from a theoretical background in mathematics, physics, and theoretical chemistry to experimental organic chemistry with a focus on mechanistic studies. I have five years of experience in applying machine learning to organic reactions yield and selectivity predictions, fostering collaborations between experimental and computational teams.
Skills include Python, active learning, reactivity featurization, DFT, experimental mechanistic studies, organic synthesis, high throughput experimentation.
Also experienced in chemistry teaching (3 years).

🔬 Research Positions

California Institute of Technology, Postdoc (2022 – Present) – with Prof. Sarah Reisman

• Active learning to design small datasets for accurate predictions on complex molecules.
• Dataset design for reactivity modeling.
• Models of reactivity across ligand classes for Ni cross electrophile couplings (Ni-CEC).
• Prediction of matching electrophiles across heterocycles classes in Ni-CEC.
• Development of a GC-MS/FID high throughput experimentation platform (with Dr. Scott Virgil).

École Normale Supérieure – PSL, Ph.D. Molecular Chemistry (2019–2022) – with Dr. Laurence Grimaud

• Mechanistic studies (theoretical & experimental) of photocatalyzed N-oxide deoxygenation.
• Mechanistic studies of Pd-mediated nitro cross-coupling.
• Electrochemical studies of Ni complexes.
• Reaction yield prediction from academic literature.

Aqemia (2020) – with Dr. Maximilien Levesque

• Implementation of scoring functions to evaluate synthetizability of drug-like molecules.

École Polytechnique (2018) – with Dr. Grégory Nocton

• Synthesis & characterization of divalent lanthanide dimers and sandwich single-molecule magnets.

Technische Universität Berlin (2016) – with Prof. Martin Kaupp

• Analysis of inverse trans influence on ^1H NMR hydride shifts in U(VI) complexes using relativistic DFT.

École Polytechnique (2015) – with Dr. Gilles Frison

• Coordination properties of N-heterocyclic mesoionic carbenes (DFT).

École Normale Supérieure, Paris (2015) – with Dr. Agathe Espagne

• Synthesis and spectroscopy of the photoswitchable protein Padron.

📚 Publications

(corresponding author, †equal contributions)

1. Designing Target-specific Data Sets for Regioselectivity Predictions on Complex Substrates
   J. Schleinitz, A. Carretero-Cerdan†, A. Gurajapu†, Y. Harnik, G. Lee, A. Pandey, A. Milo, S. E. Reisman. J. Am. Chem. Soc. 2025, 147, 9, 7476–7484.

2. Oxidative Addition of Nitro-Perylenediimide onto Palladium(0): A theoretical and experimental study
   J. Schleinitz, et al. Organometallics 2025, 44, 1, 29–35.

3. Site‐Selective Radical Aromatic C–H Functionalization of Alloxazine and Flavin through Ground‐State Single Electron Transfer
   A. Das, O. Charpentier, C. Hessin, J. Schleinitz, et al. Angew. Chem. Int. Ed. 2024, e202403417.

4. Dataset Design for Building Models of Chemical Reactivity
   P. Raghavan, B. Haas†, M. Ruos†, J. Schleinitz†, et al. ACS Central Sci. 2023, 9, 12, 2196–2204.

5. Assessing the Extent of Potential Inversion by Cyclic Voltammetry…
   C. Hessin, J. Schleinitz, et al. Inorg. Chem. 2023, 62, 8, 3321–3332.

6. Machine Learning Yield Prediction from NiCOlit…
   J. Schleinitz†,, M. Langevin†,, et al. J. Am. Chem. Soc. 2022, 144, 32, 14722–14730.
   (Selected for JACS Spotlight)

7. A single bioinspired hexameric nickel catechol-alloxazine catalyst…
   A. Das, J. Schleinitz, et al. Chem. Eur. J. 2022, 28, e2022005.

8. A hybrid bioinspired catechol-alloxazine triangular nickel complex…
   A. Das, J. Schleinitz, et al. Inorg. Chem. Front. 2021, 8, 5286–5298.

9. Metal-Free Deoxygenation of Amine N-Oxides: Synthetic and Mechanistic Studies
   W. Lecroq†, J. Schleinitz†, et al. ChemPhysChem 2021, 22, 1237.

10. Bis-Cyclooctatetraenyl Thulium(II): Highly Reducing Lanthanide Sandwich Single-Molecule Magnets
    J. Moutet, J. Schleinitz, et al. Angew. Chem. Int. Ed. 2021, 60 (11), 6042-6046.

🎤 Oral Presentations (selected)

• GRC – Organic Reaction and Processes, Bryant Univ., USA (2024) – Poster
• C-CAS Annual Meeting, UCLA, USA (2024) – Poster
• ACS Fall Meeting, San Francisco, USA (2023) – Oral
• EPFL, AI in Chemistry and Beyond, Online (2023) – Oral
• UCLA, Doyle Group Seminar, Los Angeles, USA (2022) – Oral
• Hong-Kong Univ., Chemistry Dept. Seminar, Online (2022) – Oral
• Institut Curie, Journées de la Montagne Ste Geneviève, Paris, France (2022) – Oral

🧑‍💼 Leadership

Organizer, “ML+Chem” bi-weekly hybrid seminars, Caltech, Pasadena, CA
Invited speakers from UCLA, Caltech, NASA-JPL, Terray Therapeutics, Aqemia, Atinary, EPFL, OSU, CNRS…

Reviewer

• Digital Discovery
• Journal of Chemical Information and Modelling

👩‍🏫 Teaching

ENS, Paris (2019–2022)

• Agrégé Préparateur – Training future chemistry teachers.
• ENS Recruiter – Proctored and graded experimental evaluations.
• Organic Chemistry Instructor (~30 students, lectures, exercises, continuous evaluations).
• Electrochemistry TA (theory + lab).
• Organic Lab TA (practical sessions + evaluations).

Physics Oral Examiner – Lycée Condorcet & Lycée Louis le Grand, Paris (2017–2018).

👨‍🔬 Mentoring

Caltech

• Mentored undergraduates & graduate students on machine learning and HTE projects (2022–2025).
• Co-mentored summer CS project on Bayesian optimization (2024).

ENS, Paris

• Supervised master’s and bachelor’s internships (2019–2022).

🌍 Languages

• French (native)
• English (fluent)
• Spanish (conversant)
• German (beginner)
• Russian (beginner)