Computational studies of miRNA/protein complexes using molecular dynamics and machine learning techniques.
The project objective is the characterization of the isolated model miRNA sequences and their interaction with the target molecules, by means of Molecular Dynamics studies and Machine Learning activities for the construction and use of a species database with charge states representative of the miRNA and of the complexes.

#fellowship #machinelearning #moleculardynamics #miRNA

The objective of this project is to provide a complete, consistent and accurate theoretical analysis  of the various phenomena that occur as a result of the optical excitation of paradigmatic nanostructures, solids and molecular aggregates via ultra-fast and intense  laser pulses.
To this end we will develop theoretical and innovative numerical approaches based on the accuracy of ab-initio techniques for the study of the dynamics of systems brought out of equilibrium by strong and short laser pulses.
These theoretical and numerical tools will be used to address complex nanostructures up to hundreds of atoms.
We will develop approximations and techniques for the solution of the equations that govern the dynamics out of equilibrium in the framework of the theory of non-equilibrium Green's functions.
The numerical implementations will be carried out in open-source code Yambo.

#Yambo #Out_of_equilibrium #Ab_Initio