Publié le 5 mars 2025
–
Mis à jour le 5 mars 2025
Date(s)
le 11 mars 2025
Café : 15h
Séminaire: 15h15
Séminaire: 15h15
Lieu(x)
Institut de Physique de Nice
AI-based computational materials science, from prebiotic chemistry to energy material
Seminars of the Institut de Physique de Nice,
Abstract:
Abstract:
This seminar explores AI-driven computational materials science spanning from prebiotic chemistry to energy materials. Integrating ab initio methods and advanced statistical techniques, we illustrate how machine learning can and will improve our understanding of complex reaction networks. We highlight some results in modeling molecular systems, including novel pathways for biomolecule synthesis relevant to the origins of life, as well as approaches for designing materials for energy applications, from supercapacitors to systems for hydrogen storage.
