Prof. Antonio MONARI

  Dans le cadre des Rencontres de l'ISM, nous avons le plaisir d'accueillir le Pr. Antonio Monari du laboratoire ITODYS (Université Paris-Cité).

- ABSTRACT - 

Don’t Help Them to Bury the Light.
Multiscale Methods and Artificial Intelligence to Simulate Photo-Biological Phenomena

The interaction of biological systems with external stimuli, such as light, is responsible for crucial phenomena related to signaling as well as energy conversion, and storage. Furthermore, while external perturbations, and thus light, may induce harmful effects related most notably to skin cancer development, they can be exploited for therapeutic purposes, for instances in Photodynamic or Light Assisted Therapy approaches. In This talk we will analyze the role played by Molecular Modeling and Simulation in developing an in silico Photobiology.

Moreover, the emergence of artificial intelligence, coupled with the increase of computational resources, has clearly revolutionized everyday life as well science and chemistry. As a matter of fact, data driven approaches in chemistry allows nowadays to infer connections and statistical significance which leverage the discovery of novel physical processes, as well as the development of innovative materials and pharmaceutical compounds. Thus, we will discuss the fundament of the different artificial intelligence protocols, including neural network, and their relationship with chemistry and data structure. We will present, and debunk, the approaches of machine learning in term of optimization and regression. A particular emphasis will also be given to the problem of the suitability of the training set, and to the interpretability of the machine learning model, and how to avoid biases.

Overall, we will prove that molecular modelling and artificial intelligence represent a paradigm shift which is already revoluzionizing our comprehension of biology and chemistry.

References

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Cette conférence sera précédée d'une communication orale intitulée "Theoretical modelling of photochemical reactivity - Using excited state dynamics simulations to tackle different system complexities" d'Isabella Merritt, postdoctorante au sein du groupe THEO.

Date de l'évènement : mardi 9 septembre
Heure : 10h30
Lieu : salle de conférences de l'ISM (3e étage)
Contacts : Dario BASSANI & Conférences ISM