[CNR-IOM Cagliari @Physics Department]




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Istituto Officina dei Materiali
@CNR-IOM Cagliari       

 www.iom.cnr.it

Tel: +39 070 675 4875
email:  mattoni@iom.cnr.it

Where we located at:

c/o Dipartimento di Fisica, Università di Cagliari
Cittadella Universitaria  09042 Monserrato (CA)

mol
nano2024

Research
Highlights

A.Mattoni research concerns the multiscale modeling of functional nanohybrid materials for photovoltaics and energy. We make extensive use of classical molecular dynamics  to study thermodynamics and to model the realistic structural and chemical complexity of materials.

A major part of the activity concerns the development of force fields for hybrid materials:

The ionic interatomic potentials for hybrid perovskites (MYP0) have been widely adopted in literature (> 2000 citations).

Developments include MYP1 models for water interactions; many-body and polarizable MYP2 models for crystal growth;

Machine-Learning models for accurate energetics and phase transitions




Topics
  • Hybrid perovskites (3D,2D)
  • Polymer-oxide nanomaterials
  • Amorphous-crystalline materials

Methods
  • Physics-Based force fields (MYP)
  • Machine-Learning force-fields
  • DFT and Semi-Empirical methods
                                      
growth

Crystallization


electric
Dielectric function and ionic polarization



ace
ML models
  
grain
Grain Boundaries in Tin Perovskites


ferro

Defects and ferroelastic domains



water
Decomposition
in water


new_cartoon

Post-doc position: Analytical and Machine Learning potentials for non toxic hybrid perovskites

Call will open soon,
For information email to
: mattoni@iom.cnr.it
                               


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Email: A. Mattoni Ultima modifica: 16/01/2024