Published on March 5, 2025
–
Updated on March 5, 2025
Dates
on the March 11, 2025
Coffee : 15h
Seminar: 15h15
Seminar: 15h15
Location
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.
