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The choice that a solid system "makes" when adopting a crystal structure (stable or metastable) is ultimately governed by the interactions between electrons forming chemical bonds. By analyzing 6 prototypical binary transition-metal…
Charge dynamics in an interacting fermionic model on a geometrically frustrated lattice are examined. We analyze a spinless fermion model on a paired triangular lattice, an electronic model for layered iron oxides, in zero and finite…
Because of their spontaneous bulk polarization, ferroelectric nematic liquid crystals can be easily brought by surface coupling or confinement in a state in which the accumulation of bound charges becomes incompatible with polar order,…
Computer simulation of the hopping charge transport in disordered organic materials has been carried out explicitly taking into account charge-charge interactions. This approach provides a possibility to take into account dynamic…
The magnetic order resulting from an indirect exchange between magnetic moments in the metallic phase of a Ga(1-x)Mn(x)As bilayered structure is studied "via" Monte Carlo simulation. The coupling mechanism involves a perturbative…
Monte Carlo simulations have been performed for aqueous charged colloidal suspensions as a function of charge density on the particles and salt concentration. We vary the charge density in our simulations over a range where a reentrant…
We study, using Monte Carlo simulations, the interaction between infinite heterogeneously charged surfaces inside an electrolyte solution. The surfaces are overall neutral with quenched charged domains. An average over the quenched disorder…
Molecular dynamics simulation methods are used to study the folding of polymer chains into packed cubic states. The polymer model, based on a chain of linked sites moving in the continuum, includes both excluded volume and torsional…
We study the collective behaviour of an ensemble of coupled motile elements whose interactions depend on time and are alternatively attractive or repulsive. The evolution of interactions is driven by individual internal variables with…
We use an efficient method that eases the daunting task of simulating dynamics in spin systems with long-range interaction. Our Monte Carlo simulations of the long-range Ising model for the nonequilibrium phase ordering dynamics in two…
We propose a variant of the antiferromagnetic XY model on the triangular lattice to study the interplay between the chiral and nematic orders in addition to the magnetic order. The model has a significant bi-quadratic interaction of the…
We study the dynamics of an heteropolymeric chain relaxing toward a new equilibrium configuration after the action of an external perturbation. We compare the results from Monte Carlo simulations with the results of a Langevin normal mode…
The coherence and phase evolution of electrons in a mesoscopic system in the Kondo correlated regime were studied. The Kondo effect, in turn, is one of the most fundamental many-body effects where a localized spin interacts with conduction…
We calculate the conductance of atomic chains as a function of their length. Using the Density Matrix Renormalization Group algorithm for a many-body model which takes into account electron-electron interactions and the shape of the…
A systematic study of the properties of particle and charge correlation functions in the two-dimensional Coulomb gas confined to a one-dimensional domain is undertaken. Two versions of this system are considered: one in which the positive…
We demonstrate the emergence of self-organized structures in the course of the relaxation of an initially excited, dissipative and finite chain of interacting particles in a periodic potential towards its many particle equilibrium…
Consider a periodically forced nonlinear system which can be presented as a collection of smaller subsystems with pairwise interactions between them. Each subsystem is assumed to be a massive point moving with friction on a compact surface,…
The role of Coulomb interaction between the mobile particles in ionic conductors is still under debate. To clarify this aspect we perform Monte Carlo simulations on two simple lattice models (Counter Ion Model and Random Energy Model) which…
We investigate the Hall response of hardcore bosonic atoms on a triangular ladder in a magnetic field. To access the dynamical properties of this many-body quantum system, we employ matrix product states numerical methods. We show that the…
We identify the dynamical heterogeneities as an essential prerequisite for stretched exponential relaxation in dynamically frustrated systems. This heterogeneity takes the form of ordered domains of finite but diverging lifetime for…