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Solid-liquid friction plays a key role in nanofluidic systems. Yet, despite decades of method development to quantify solid-liquid friction using molecular dynamics (MD) simulations, an accurate and widely applicable method is still…
Understanding unconventional superconductivity (SC) driven by strong electronic correlations is a central challenge in condensed matter physics. In this work, we employ sign-problem-free quantum Monte Carlo (QMC) simulations to…
We report the experimental observation of a square crystalline phase in a vibrated binary mixture of spherical grains. This structure spontaneously forms from a disordered state, consistently with predictions obtained in an equilibrium…
We present the results of a large scale molecular dynamics computer simulation of a binary, supercooled Lennard-Jones fluid. At low temperatures and intermediate times the time dependence of the intermediate scattering function is well…
A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating dense fluid flows at molecular scales. The I-DSMC algorithm eliminates all grid…
The lattice model of Coulomb Glass in two dimensions with box-type random field distribution is studied at zero temperature for system size upto $96^{2}$. To obtain the minimum energy state we annealed the system using Monte Carlo…
We use a standard Monte-Carlo algorithm to study the slow dynamics of a binary Lennard-Jones glass-forming mixture at low temperature. We find that Monte-Carlo is by far the most efficient way to simulate a stochastic dynamics since…
We combine machine learning (ML) with Monte Carlo (MC) simulations to study the crystal nucleation process. Using ML, we evaluate the canonical partition function of the system over the range of densities and temperatures spanned during…
We investigate the BCS-BEC crossover in a bilayer system of fermionic dipoles at zero temperature using the fixed-node diffusion Monte Carlo technique. The dipoles are confined on two parallel planes separated by a distance $\lambda$ and…
Assuming a tricritical point of the two--flavor QCD in the space of temperature, baryon number chemical potential and quark mass, we study the change of the associated soft mode along the critical line within the Ginzburg--Landau approach…
We present a novel hybrid computational method to simulate accurately dendritic solidification in the low undercooling limit where the dendrite tip radius is one or more orders of magnitude smaller than the characteristic spatial scale of…
We describe short-time kinetic and steady-state properties of the non--equilibrium phases, namely, solid, liquid and gas anisotropic phases in a driven Lennard-Jones fluid. This is a computationally-convenient two-dimensional model which…
Results of a lattice field theory simulation of the single-flavor Thirring model in 2+1 spacetime dimensions are presented. The lattice model is formulated using domain wall fermions as a means to recover the correct U(2) symmetries of the…
The particle Gibbs (PG) sampler is a Markov Chain Monte Carlo (MCMC) algorithm, which uses an interacting particle system to perform the Gibbs steps. Each Gibbs step consists of simulating a particle system conditioned on one particle path.…
We introduce a variant of the multi-grid Monte Carlo (MGMC) method, based on the embedding of an $XY$ model into the target model, and we study its mathematical properties for a variety of nonlinear $\sigma$-models. We then apply the method…
The 1D Ising model is the simplest Hamiltonian-based model in statistical mechanics. The sim- plest interacting particle process is the Symmetric Exclusion Process (SEP), a 1D lattice gas of particles that hop symmetrically and cannot…
The self-excited spanwise homogeneous perturbations arising in shock-wave/boundary-layer interaction (SWBLI) system formed in a hypersonic flow of molecular nitrogen over a double wedge are investigated using the kinetic Direct Simulation…
Using a molecular dynamics computer simulation we determine the temperature dependence of the partial structure factors for a binary Lennard-Jones system. These structure factors are used as input data to solve numerically the wave-vector…
We perform high-statistics Monte Carlo simulations of three-dimensional Ising spin-glass models on cubic lattices of size L: the +- J (Edwards-Anderson) Ising model for two values of the disorder parameter p, p=0.5 and p=0.7 (up to L=28 and…
Large-scale Monte Carlo simulations are used to explore the effect of quenched disorder on one dimensional, non-equilibrium kinetic Ising models with locally broken spin symmetry, at zero temperature (the symmetry is broken through…