theoretical nanoscience

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Our research activities is devoted to the study of different (structural, electronic, transport, magnetic, optical) physical properties of inorganic (quantum wires, dots, etc.) and molecular (nucleic acids, proteins, nanotubes, graphenes, etc) nanostructures as weel as hybrid organic/inorganic interfaces.

The methods adopted range from semiclassical (effective mass, MD) to ab initio schemes based on density functional theory (DFT, Car-Parrinello) and beyond (TDDFT, CI, Bethe-Salpeter, 3BS). Particular effort is devoted also at the implementation of in-house computational codes.

 

SEMICONDUCTOR NANOSTRUCTURES


- Quantum Dots - Electronics / Optics
- Quantum Wires - Optics
- Optimisation of Quantum Devices
- Quantum Computation with Dots
- Theory of Near Field Spectroscopy

 

 

CARBON-BASED NANOSTRUCTURES


- Polymers - Electronics / Optics
- Nanotubes
- Graphene nanoribbons

 

 

BIOMOLECULAR NANOSTRUCTURES


- Natural and synthetic DNA
- Electron Transfer Proteins
- Protein on surfaces

 

 

 

HYBRID INTERFACES


- Organic Molecules / Semiconductor Surfaces
- Organic Molecules / Metal Surfaces
- Liquid Water / Metal Surfaces

 

 

 

LOW-DIMENSIONAL NANOSTRUCTURES


- Chalgonenide polymers
- Molecular Chromophores - Dynamics / Optics
- Nanojunctions - Transport

 

 

CODE DEVELOPMENT


- Electron Transport - WanT
- GW/Bethe-Salpeter Suite - SaX
- Input/output Toolkit - IOTK
- Manybody CI Scheme - Don Rodrigo
- Transfer Integrals - dti
- CI Envelope Function - PhonondotMP
- STM boundary element method - STM-BEM

 

 

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