DC9: Bio-functionalized chiral nanocluster modelling with ML methods
Organization:
CNR
Tematic area:
Computational Chemistry, Materials Science , Physics
Description
Apply machine learning force fields and sampling methods to model bio-functionalized MPCs; predict interaction with biomolecules and ROS generation; validate with DC2–DC13 experiments.
Contacts and people
AF
Dr. Alessandro Fortunelli (CNR)
Supervisor
FM
Prof. Francesca Modugno (UNIPI)
Supervisor
JO
Joanna Olesiak-Banska (PWR)
Co-supervisor
MS
Mauro Stener (UTS)
Co-supervisor