This installation offers computational support to experimental and computational users’ projects.
Simulations based on density-functional theory and many-body perturbation theory are available for the characterization of the structural, electronic, optical, magnetic and functional properties of nanostructured materials; to provide insight and guidelines towards material growth, functional design, and nanofabrication; and for spectral fingerprinting. The tools available allow to address a wide spectrum of systems including bulk, surfaces, interfaces, heterostructures, molecules, or clusters - albeit with increasing computational costs depending on the system sizes considered
The Theory & Simulation Installation is open to experimental users with no experience in modelling and simulation, as well as to experimental and computational users with experience in the field. Access to the installation may be remote or on-site, depending on the needs of the proposed project.
Preference will be given to joint experimental-theory projects combining more than one NFFA installations.
Theory and simulation of neutral and charged electronic excitations, time- and space-resolved experiments
A multi-scale theoretical framework allows for the estimation of structural and phase changes when materials are exposed to extreme irradiation conditions generated by various types of electromagnetic sources, including synchrotron sources, pulsed and free-electron lasers.