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We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
Using both analytical arguments and detailed numerical evidence we show that the first order transition in the type-I 2D Abelian Higgs model can be understood in terms of the statistical mechanics of vortices, which behave in this regime as…
We adapt Vertex models to understand the physical origin of the formation of long-range ordered structures in repulsive soft particles. The model incorporates contributions from the volume and surface area of each particle. Sampling using…
We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily…
A mesoscopic system of a few particles exhibits behaviors that strongly differ from those of a macroscopic system. While in a macroscopic system phase transitions are universal, a change in the state of a mesoscopic system depends on its…
The fluid and solid equations of state for hard parallel squares and cubes are reinvestigated here over a wide range of densities. We use a novel single-speed version of molecular dynamics. Our results are compared with those from earlier…
Hysteresis and the non-equilibrium dynamic phase transition in thin magnetic films subject to an oscillatory external field have been studied by Monte Carlo simulation. The model under investigation is a classical Heisenberg spin system…
Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for…
In contrast to thermotropic biaxial nematic phases, for which some long sought for experimental realizations have been obtained, no experimental realizations are yet known for their tetrahedratic and cubatic counterparts,involving…
We examine a model in which a nonequilibrium phase transition from an active to an extinct state is observed. The order of this phase transition has been shown to be either continuous or first-order, depending on the parameter values and…
The accurate determination of magnetic phase transitions in electronic systems is an important task of solid state theory. While numerically exact results are readily available for model systems such as the half-filled 3D Hubbard model, the…
According to the Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory, the transition from a solid to liquid in two dimensions proceeds through an orientationally ordered liquid-like hexatic phase. However, alternative mixed melting…
We consider the two dimensional (2D) classical lattice Coulomb gas as a model for magnetic field induced vortices in 2D superconducting networks. Two different dynamical rules are introduced to investigate driven diffusive steady states far…
Understanding planetary interiors is directly linked to our ability of simulating exotic quantum mechanical systems such as hydrogen (H) and hydrogen-helium (H-He) mixtures at high pressures and temperatures. Equations of State (EOSs)…
By means of the recently proposed algorithm based on the tensor product states, the magnetization process of the spin-1/2 anti-ferromagnetic XXZ model on a square lattice is investigated. In the large spin-anisotropy limit, clear evidence…
We consider a strongly nonlinear PDE system describing solid-solid phase transitions in shape memory alloys. The system accounts for the evolution of an order parameter (related to different symmetries of the crystal lattice in the phase…
Within the framework of Lorentz model for description of viscoelastic medium the influence of deformational defect of the shear modulus is studied on melting of ultrathin lubricant film confined between the atomically flat solid surfaces.…
The Landau-Khalatnikov time-dependent equation is applied to describe the crystallization process of the ordered vortex lattice in high temperature superconductors after a sudden application of a magnetic field. Dynamic coexistence of a…
Monodisperse ensembles of particles that have cluster crystalline phases at low temperatures can model a number of physical systems, such as vortices in type-1.5 superconductors, colloidal suspensions and cold atoms. In this work we study a…
Many experimental studies, over the past two decades, have constantly reported a novel critical behavior for the transition from Smectic-A phase of liquid crystals to Hexatic-B phase with non-XY critical exponents. However according to…