We use computer modeling to provide fundamental atomic-scale insights at the frontiers of nano science, condensed-matter physics, biochemistry, and materials science

Our research aims to characterize, engineer and discover new materials for innovative applications in nano technologies, renewable energies, electronics, optics, superconductivity, 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. 

Collaborations with the local experimental partners, the Elettra synchrotron facility and the CNR-IOM TASC Laboratory, are fostered and coordinated by a dedicated DEMOCRITOS/SISSA theory@Elettra group located in the AREA science park. 
Nanostructured Materials

* 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
P.Umari, S.Baroni



                                                                                                 

Strongly Correlated Electron Systems

* Theory of strongly correlated systems
F.Becca, M.Capone, S.Sorella, E.Tosatti

* Quantum Monte Carlo methods             molecules and solids
S.Moroni

* Exotic phases of matter, especially quantum spin liquids
F.Becca

* Numerical methods for lattice models, especially quantum Monte Carlo
F.Becca, S.Sorella

* Quantum fluids, particularly in confined geometries
S.Moroni

* 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
M.Capone, G.Giovannetti

* Quantum devices and gyroscopes with cold atoms
A.Trombettoni
Biological Systems



* Molecular Mechanism of Biomolecules, enzymatic catalysis and trasnport across membranes
A.Magistrato
*Drug/Protein/nucleic acids  interactions
A.Magistrato

HPC computing and scientific software

Computer codes for electronic-structure calculations and materials modeling at the nanoscale (Quantum Espresso)