Inverse design molecolare e oltre: approcci ibridi AI–quantum per problemi combinatoriali complessi

Scientific-Disciplinary Group

03/CHEM-02 - Physical Chemistry

Description

The project builds on recent research in molecular inverse design based on advanced computational approaches. Previous studies have shown the effectiveness of data-free generative models based on reinforcement learning combined with quantum chemistry calculations, as well as the potential of variational quantum algorithms for complex combinatorial problems. The project aims to develop a hybrid framework integrating AI and quantum computing to improve efficiency, scalability, and solution quality. The approach preserves the data-free paradigm, avoiding dataset bias, while leveraging quantum methods to explore complex high-dimensional distributions. Applications span molecular design and other combinatorial problems across different scientific domains.

Job posting website

https://bandi.unibo.it/ricerca/incarichi-di-ricerca

Funding body

ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA - - DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"

How to apply

Other

Selection process