-A A +A

Theoretical Modelling

The theoretical and modelling teams of the CNR-IMM aim at creating a common framework of complimentary analytical and numerical skills for the study of physical phenomena related to materials, processes and devices.  To this scope, a broad set of modelling expertise and numerical tools (some of them developed in house) are available and applied to timely issues in condensed matter physics, materials science, quantum technologies and related interdisciplinary topics.

The current interests include:

  • Enabling methodologies for quantum technologies.
  • Computational studies of future device architectures for classical and quantum computation.
  • Ab initio investigation of innovative materials, nanostructures and nanosystems.
  • Ab initio studies applied to advanced experimental techniques.
  • Stochastic thermodynamics and kinetic phenomena.
  • Multi-scale simulation of devices and processes.
  • Computational electrodynamics and electromagnetism.   
  • Compact-model development.


Coordinator: Fabio Della Sala

Theoretical modelling - Naples unit

Activity of the Napoli branch in Theoretical Modelling is mainly devoted to the simulation of selected properties and behaviour of several materials on a nano/micro/macro scale. The main...

Theoretical Modelling in Lecce Unit

The theoretical-computational activity in Lecce is focused on four different reseach lines:
1) development of density-functional theory, 2) application of DFT methods to model nanosystems, 3...

Theory, numerical simulation and modelling at Catania HQ

The theoretical-computational activity at Catania HQ aims at bridging the gap between the atomic and quantum phenomena that rule interactions and processes at the nanoscale with the macroscopic...

Enabling techniques for quantum technologies

Fascinating aspects of Nature that defy our intuition, such as quantum entanglement and quantum collapse, are at the basis of research conjugating fundamental physics with innovative technologies...

Theoretical Modelling in Rome Unit


The theoretical modelling activities ongoing in the IMM - Rome are strictly related and complementary to the experimental activities currently pursued in this Unit.

Currently, the...

Electronic and optical properties of novel materials

The modelling and computational expertise that can be found in the Bologna unit reflects the different types of approach that are used to corroborate different activities that...

Agrate unit, theoretical technology area

The theoretical activity of the unit of Agrate Brianza is mainly focused on the simulation of material and devices that can meet the needs of present and the forthcoming nano-electronic industry...