Théo Jaffrelot Inizan

Researcher at UC Berkeley & Berkeley Lab

LinkedInLinkTwitterGitHub

About me

I am a Postdoctoral Researcher with a Bakar Institute of Digital Materials for the Planet fellowship at the University of California Berkeley and Berkeley Lab. I am working with Prof. Omar Yaghi and Prof. Kristin Persson on leveraging generative AI, Large Language Model and Machine Learning Potential to accelerate material discovery. I did my Ph.D. at Sorbonne University with Prof. Jean-Philip Piquemal, EMC2 ERC fellow, and at  University of Texas at Austin with Prof. Pengyu Ren, as Fulbright Visiting Scholar


My research is focused on leveraging deep learning, unsupervised data-driven tools, quantum mechanical models, statistical mechanics, mathematics and high-performance computing to address global challenges. My passion lies in fostering interdisciplinary collaborations and developing robust innovative solutions to high-stakes problems from drug design, passing by material discovery for climate change. 


I have been involved in numerous international collaborations with academic (e.g UT Austin, Carnegie Mellon University, Kansas University, EPFL,  VU Amsterdam) as well as industry partners (e.g Qubit Pharmaceuticals, NVIDIA, AWS).


Research experience

Education

LinkLinkLinkLinkLink







Outside of Sorbonne University I interned at PSL University, CNRS, VU Amsterdam, advised by Prof. Evert Jan Baerends, and EPFL, advised by Prof. Nicola Marzari and Prof. Iurii Timrov, working on the development of novel methodologies to study correlated materials. I also did my Master Thesis at EPFL with Prof. Clémence Corminboeuf where I developed Machine Learning model for photoswitchable catalysts. I was also a Visiting Scholar at the University of Texas at Austin with Prof. Pengyu Ren working on novel neural network-powered force fields for highly accurate biomolecular simulations.



Sorbonne University

   Ecole Polytechnique Fédérale de Lausanne

Institut National Polytechnique 

Institut National Polytechnique