Research Areas
Our group research activities focus on the theory and modeling of the dynamics of molecular systems subject to external perturbations, with applications to
- Attochemistry: quantum dynamics of control of chemical reactivity by ultrafast (attosecond) optical excitation in molecules.Efficient methodologies for quantum dynamics in several nuclear degrees of freedom coupled to several electronic states
- Molecular classical and quantum computing. (i) Computing by observables :Quantum computing based on ultrafast optical addressing of electronic coherences in molecular and nanosystems. (ii) Molecular logic using intra- and inter- molecular dynamics, with special emphasis on the implementation of massively parallel quantum logic operations and multivalued logic. (iii) Developments of quantum algorithms for quantum dynamics.
- Dynamics of excited states in dense level systems and the control of energy and charge transfer: polyatomic molecules, high molecular Rydberg states, site-selected reactivity in small ionized peptides, arrays of metallic quantum dots
- Mechanochemistry: Steering the chemical reactions using external mechanical force
- Electronic, structural, optical, transport and magnetic properties of molecular and nanosystems: Diels-Alder adducts, arrays of metallic quantum dots, functionalized gold nanoclusters, supramolecular complexes, including DNA and peptides fragments.
- Systems biology: Information Theoretic Approach for the analysis of high throughput genomic and proteomic data
