Présentation
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.
Publications
High-resolution Molecular Dynamics Simulations of the Pyruvate Kinase Muscle Isoform 1 and 2 (PKM1/2)2024
Pré-publication, Document de travail
hal-04377229v1
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Advancing Force Fields Parameterization: A Directed Graph Attention Networks Approach2023
Pré-publication, Document de travail
hal-04358188v1
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Advancing Large-Scale Molecular Dynamics through Machine LearningTheoretical and/or physical chemistry. Sorbonne Université, 2023. English. ⟨NNT : 2023SORUS423⟩
Thèse
tel-04391213v1
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