45 citations · 49 across the 4 of their papers we have counts for
4 papers
A Co-Design Approach to Physically-Informed Molecular Docking for Quantum Annealers
Francesco Micucci, Matteo Barbieri, Gabriella Bettonte +6
Molecular docking is a crucial step in computer- aided drug design, involving the identification of ligand poses that are physically plausible within a protein pocket. Recent studi…
Molecular Docking via Weighted Subgraph Isomorphism on Quantum Annealers
Emanuele Triuzzi, Riccardo Mengoni, Francesco Micucci +4
Molecular docking is an essential step in the drug discovery process involving the detection of three-dimensional poses of a ligand inside the active site of the protein. In this p…
A LSTM-enhanced surrogate model to simulate the dynamics of particle-laden fluid systems
Arash Hajisharifi, Rahul Halder, Michele Girfoglio +3
The numerical treatment of fluid-particle systems is a very challenging problem because of the complex coupling phenomena occurring between the two phases. Although accurate mathem…
A Non-Intrusive Data-Driven Reduced Order Model for Parametrized CFD-DEM Numerical Simulations
Arash Hajisharifi, Francesco Romano`, Michele Girfoglio +3
The investigation of fluid-solid systems is very important in a lot of industrial processes. From a computational point of view, the simulation of such systems is very expensive, e…