Institute for Complex Systems - Sapienza - CNR

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ISC Sapienza

Computational Activities

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This is a short summary of our computational activities:

Molecular dynamics of biopolymers via coarse-grained (united-atom) modeling, focused on protein folding, on functional-structural dynamics of large biomolecules on protein transport across synthetic and biological nanopores.
(Dr. Fabio Cecconi and his group)

Simulations of soft matter systems. In particular the equilibrium and out-of-equilibrium properties of complex fluids, such as colloidal suspensions, star polymers, micelles, globular proteins, clays. Self-assembly behavior of patchy and anisotropic particles. Interplay between thermodynamic (eg. phase separation or crystal formation) and dynamic transition, such as dynamic arrest into a glass or gel state.
(Dr. Emanuela Zaccarelli and her group)

Large scale simulations of self-propelled particles (SPP) systems, aimed at modelling collective behaviour in biological systems. Such simulations fall within the broader class of active matter systems, which have an interest in physics as well as in biology.
(Dr. Irene Giardina, Dr. Andrea Cavagna and their group)

Montecarlo and molecular dynamics simulations of
sulercooled liquids close to the glass transition. In particular, we
measure the relaxational properties of confined systems, with the aim
of detecting correlation lengths that grow upon cooling the system.
(Dr. Irene Giardina, Dr. Andrea Cavagna and their group)

Strongly correlated systems with interesting properties like high-Tc superconductors or mutiferroic behavior using techniques as density functional theory, exact diagonalization and classical MonteCarlo.
(Dr. Jose Lorenzana and his group)

Molecular dynamics and montecarlo simulations of fluidized granular matter (under shaking), study of dynamical correlations, pattern formation under non-equilibrium conditions, study of the interplay between dissipation and forcing. (Dr. Andrea Puglisi and his group)