We use computer modeling to provide fundamental atomic-scale insights at the frontiers of nano science, condensed-matter physics, biochemistry, and materials science.
catalysis, biological systems and drug design.
These research activities are underpinned by the development of new theories and numerical methods, by their efficient implementation into scientific software as well as by optimized solutions for high-performance parallel computing.
DEMOCRITOS researchers have a longstanding history of joint research projects and training activities with the Condensed Matter, Statistical Physics, and Biophysics groups at SISSA, with the associated members from the Universities of Trieste, Udine, Padova, and Nova Gorica, and from the International Center for Theoretical Physics.
* Computational materials science for energy conversion and storage
S.Fabris, S. Piccinin
* Heterogeneous catalysis and chemical reactivity of metal and metal-oxide surfaces & nano structures
S.Fabris, M.Farnesi Camellone, S Piccinin
* Theory and simulation of interface dynamics, friction and adhesion at the nano- and meso-scale
A.Vanossi, G.Santoro, E.Tosatti
* Ferroelectrics, multiferroics and functional oxides
G. Giovannetti, M.Capone
* Numerical simulation of electronic excitations in complex molecular and nano-structured systems
Strongly Correlated Electron Systems
* Theory of strongly correlated systems
F.Becca, M.Capone, S.Sorella, E.Tosatti
* Quantum Monte Carlo methods molecules and solids
* Exotic phases of matter, especially quantum spin liquids
* Numerical methods for lattice models, especially quantum Monte Carlo
* Quantum fluids, particularly in confined geometries
* Strongly correlated systems in cold atoms
A.Trombettoni, S.De Palo, M.Capone
* Superconductivity and Strong Correlations
M.Capone, G.Giovannetti, E.Tosatti, M.Fabrizio
* Quantum Monte Carlo simulations for electron liquids
S.De Palo S.Moroni, G.Senatore
* Dynamical Mean-Field Theory in and out of equilibrium
* Quantum devices and gyroscopes with cold atoms
* Molecular Mechanism of Biomolecules, enzymatic catalysis and trasnport across membranes
*Drug/Protein/nucleic acids interactions
HPC computing and scientific software
Computer codes for electronic-structure calculations and materials modeling at the nanoscale (Quantum Espresso)