Multiscale modelling for materials science and process engineering
Specific mission
Development of multiscale modelling platforms including:
(1) continuum mechanics (computational fluid dynamics, rigid-body simulation),
(2) mesoscale models (Stokesian and population dynamics),
(3) molecular models (full-atom and coarse-grained molecular dynamics)
The multiscale platforms are based on open-source license-free simulation tools and the work focuses on the development of connections between models by using different strategies (e.g. parameter passing).
Main research topics
- Computational Fluid Dynamics for turbulent multiphase polydisperse systems
- Molecular dynamics simulation of fluids
- Mesoscale simulation of colloidal systems
- Multiscale simulation of flow and transport in porous media
- Multiscale modeling of polymer reacting systems
Main partnerships
- Prof. Rodney Fox, Iowa State University
- Prof. Paola Carbone, University of Manchester, UK
- Prof. Emilio Baglietto, Massachusetts Institute of Technology
- Prof. Martin Van Sint Annaland, Eindhoven University of Technology
- Prof. Ville Alopaeus, Aalto University
- Prof. Ignacio Pagonabarraga, University of Barcellona
- Prof. Mike Allen, University of Warwick
- Prof. Matthäus Bäbler, KTH Royal Institute of Technology
- IFP Energies Nouvelles, Lyon
- ENI – Division Refining and Marketing
- BASF – Multiphase Flow Group
- BASF – Polymer Reaction Engineering Group
- OPTIMAD Engineering
- CEA - Commissariat à l'énergie atomique et aux énergies alternatives
Projects and publications
Reference laboratories



Leader
Permanent staff
PhD, Post-docs and Grant researchers
- DE ROMA FRANCESCO
- FENG YI
- FERRARI MARCO
- LAURIELLO NUNZIA
- LOMBARDO PONTILLO ALESSIO
- MALUSA' SANDRO
- MARCATO AGNESE
- QUERIO ANDREA
- RAPONI ANTONELLO
- VASQUEZ GIULIANO LORENZO