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The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a…
The simulation of geometrically resolved rigid particles in a fluid relies on coupling algorithms to transfer momentum both ways between the particles and the fluid. In this article, the fluid flow is modeled with a parallel Lattice…
The lattice Boltzmann method (LBM) is routinely employed in the simulation of complex multiphase flows comprising bulk phases separated by non-ideal interfaces. LBM is intrinsically mesoscale with an hydro-dynamic equivalence popularly set…
We study many-body localization in a one dimensional optical lattice filled with bosons. The interaction between bosons is assumed to be random, which can be realized for atoms close to a microchip exposed to a spatially fluctuating…
We study the behaviour of an ultracold atomic gas of bosons in a bichromatic lattice, where the weaker lattice is used as a source of disorder. We numerically solve a discretized mean-field equation, which generalizes the one-dimensional…
Exploiting the efficiency and stability of Position-Based Dynamics (PBD), we introduce a novel crowd simulation method that runs at interactive rates for hundreds of thousands of agents. Our method enables the detailed modeling of per-agent…
The exact quantum dynamics of lattice models can be computationally intensive, especially when aiming for large system sizes and extended simulation times necessary to converge transport coefficients. By leveraging finite memory times to…
The non-equilibrium dynamics of spin impurity atoms in a strongly interacting one-dimensional (1D) Bose gas under the gravity field is studied. We show that due to the non-equilibrium preparation of the initial state as well as the…
Quantum simulation of a monopole-spin hybrid system is performed on basis of a dipolar ultracold gas in a ladder lattice. The site-occupation states of the dipolar ladder lattice gas can spontaneously emulate both the monopole and spin…
Magnetic nanostructures find application in diverse technological domains and their behavior is significantly influenced by long-range dipolar interactions. However, simulating these systems using the traditional Metropolis Monte Carlo…
A rich variety of physical effects in spin dynamics arises at the interface between different magnetic materials. Engineered systems with interlaced magnetic structures have been used to implement spin transistors, memories and other…
We extend the duality of Kipnis Marchioro and Presutti to inhomogeneous lattice gas systems where either the components have different degrees of freedom or the rate of interaction depends on the spatial location. Then the dual process is…
Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…
Based on the proposed earlier by the Author approach to macroscopic description of scalar interaction, this paper develops the macroscopic model of relativistic plasma with a fantom scalar interaction of elementary particles. In the given…
It is known that there are lattice models in which non-interacting particles get dynamically localized when periodic $\delta$-function kicks are applied with a particular strength. We use both numerical and analytical methods to study the…
Symplectic integrators for Hamiltonian systems have been quite successful for studying few-body dynamical systems. These integrators are frequently derived using a formalism built on symplectic maps. There have been recent efforts to extend…
Direct simulations of phase-change and phase-ordering phenomena are becoming more common. Recently qualitative simulations of boiling phenomena have been undertaken by a large number of research groups. One seldom discussed limitations is…
Lattice Boltzmann simulations have been very successful in simulating liquid-gas and other multi-phase fluid systems. However, the underlying second order analysis of the equation of motion has long been known to be insufficient to…
We discuss a discrete approach to the multiscale reductive perturbative method and apply it to a biatomic chain with a nonlinear interaction between the atoms. This system is important to describe the time evolution of localized solitonic…
The friction force on a test particle traveling through a plasma that is both strongly coupled and strongly magnetized is studied using molecular dynamics simulations. In addition to the usual stopping power component aligned antiparallel…