Faculty

- Geometric and topological properties of electronic structures
- Phonon-phonon interaction, anharmonicity, CDW and thermal conduction
- Electron-phonon interaction and phonon-mediated superconductivity

- Magnetic and superconducting properties of quantum materials
- Theory and modeling of local magnetic probes
- Workflow automation for materials modeling and experimental data analysis

- Statistical Mechanics
- Molecular Dynamics

- Topological and magnetic properties of 2D materials and van der Waals heterostructures
- Electron-phonon interactions and transport
- High-throughput and data-driven materials discovery

- Spin-orbit coupling in quantum nanostructures
- Few-particle quantum dynamics
- Excitations in hybrid organic-inorganic systems

- Quantum information science: spin-defects, quantum sensing, quantum computing, quantum communication
- Theory and method development: density functional theory (DFT), time-dependent DFT, many-body perturbation theory (GW, BSE), quantum embedding, machine learning accelerated molecular dynamics
- Tier-0 scientific computing: use of high-performance and quantum computers to carry out atomistic simulations

- Time-dependent electron-hole scattering in heterostructures
- Microscopic theory of transport processes
- Machine-learning methods for atomistic simulations

- Quantum-driven nanoscience & method development
- Development of computational tools for next-generation materials and nano(bio)devices

- Computational design of semiconductor nanostructures with enhanced thermoelectric performance
- Ab initio ML-aided spectroscopies for interfaces/interphases in next-generation battery materials
- Advanced simulation of linear and non-linear optical properties in 2D materials
Postdocs

- Advisor: Marco Govoni
- Research: Method development for excited state calculations

- Advisor: Marco Govoni
- Research: Calculation of optical properties of spin-defects

- Advisor: Marco Govoni
- Research: Point-defects in diamond for quantum technologies

- Advisor: Marco Gibertini
- Research: Emergent topological phases in van der Waals heterostructures

- Advisor: Marco Gibertini
- Research: Pressure-induced Chern insulators in layered materials

- Advisor: Elisa Molinari
- Research: Linear and nonlinear optical properties of molecules and hybrid materials

- Advisor: Marco Gibertini
- Research: Electrical control of spin and valley polarization in 2D materials

- Advisor: Alice Ruini
- Research: Molecular modeling methodologies for structure and properties of nanostructured materials

- Advisor: Marco Govoni
- Research: Point-defects in nitride materials for quantum technologies
Ph.D. students

- Supervisor: Alice Ruini
- Research: Linear and nonlinear optical response of 2D materials

- Supervisor: Marco Govoni
- Research: Simulation of spin defects for quantum technologies

Andrea BIONDINI
- Supervisor: Marco Govoni
- Research: Fully optical control of spin defects

- Supervisor: Elisa Molinari, Co-supervisors: Andrea Ferretti (CNR-Nano), Daniele Varsano (CNR-Nano)
- Research: Machine Learning methods applied to GW calculations

- Supervisor: Elisa Molinari
- Research: Excitonic properties and instabilities in bilayer systems

- Supervisor: Marco Govoni
- Research: First principles simulations of defects in low dimensional materials for quantum technologies

- Supervisor: Guido Goldoni, Co-Supervisor: Stefano Corni (UniPD)
- Research: Excitonic transport on pigment-protein complexes assembled with nanoparticles

- Supervisor: Marco Govoni
- Research: Computation of electronic properties of quantum systems through quantum computing paradigm

- Supervisor: Federico Grasselli
- Research: Quantum effects on the transport properties of liquids and their uncertainty estimation

- Supervisor: Guido Goldoni, Co-Supervisor: Federico Grasselli
- Research: Machine learning for simulation in quantum materials discovery

- Supervisor: Guido Goldoni, Co-Supervisors: Filippo Troiani (CNR), Stefano Pittalis (CNR
- Research: Quantum algorithms, including quantum machine learning, for the prediction of materials phase equilibria and molecular energies
Emeritus and Senior Professors
Former Group Members

- Optoelectronic materials
- Quantum nanoplasmonics



