Related papers: A new monte carlo algorithm for growing compact Se…
Random walks are frequently used as a model for very diverse physical phenomena. The Monte Carlo method is a versatile tool for the study of the properties of systems modelled as random walks. Often, each walker is associated with a…
We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…
We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the development of Monte Carlo algorithms to accelerate equilibration…
Self-avoiding walks (SAWs) were introduced in chemistry to model the real-life behavior of chain-like entities such as solvents and polymers, whose physical volume prohibits multiple occupation of the same spatial point. In mathematics, a…
Legged robots have the ability to adapt their walking posture to navigate confined spaces due to their high degrees of freedom. However, this has not been exploited in most common multilegged platforms. This paper presents a deformable…
An efficient implementation of the self-consistent GW method in the FlapwMBPT code (https://www.bnl.gov/cmpmsd/flapwmbpt/) is presented. It features the evaluation of polarizability and self-energy which scales linearly with respect to the…
We investigate neighbor-avoiding walks on the simple cubic lattice in the presence of an adsorbing surface. This class of lattice paths has been less studied using Monte Carlo simulations. Our investigation follows on from our previous…
Optimizing or sampling complex cost functions of combinatorial optimization problems is a longstanding challenge across disciplines and applications. When employing family of conventional algorithms based on Markov Chain Monte Carlo (MCMC)…
This paper discusses some convergence properties in the entropic sampling Monte Carlo methods with multiple random walkers, particularly in the Wang-Landau (WL) and $1/t$ algorithms. The classical algorithms are modified by the use of $m$…
We study a restricted class of self-avoiding walks (SAW) which start at the origin (0, 0), end at $(L, L)$, and are entirely contained in the square $[0, L] \times [0, L]$ on the square lattice ${\mathbb Z}^2$. The number of distinct walks…
We study a lattice model of a magnetic polymer where the XY spin variables are located on a self-avoiding walk (SAW) on a regular lattice in two and three dimensions. We consider the regime where both spins and conformations are dynamic,…
Integer linear programming (ILP) remains computationally challenging due to its NP-complete nature despite its central role in scheduling, logistics, and design optimization. We introduce a fully quantum Metropolis-Hastings algorithm for…
The Metropolis-Hastings algorithm has been extensively studied in the estimation and simulation literature, with most prior work focusing on convergence behavior and asymptotic theory. However, its covariance structure-an important…
The work introduces a 3D cellular automaton model for the spatial and crystallographic prediction of spherulite growth phenomena in polymers at the mesoscopic scale. The automaton is discrete in time, real space, and orientation space. The…
The phase diagram and surface critical behaviour of the vertex-interacting self-avoiding walk are examined using transfer matrix methods extended using DMRG and coupled with finite-size scaling. Particular attention is paid to the critical…
For random-walk Metropolis (RWM) and parallel tempering (PT) algorithms, an asymptotic acceptance rate of around 0.234 is known to be optimal in certain high-dimensional limits. However, its practical relevance is uncertain due to…
The effect of the correlations in the diluteness pattern in the systems with non-integral dimensionality, on $\nu=\frac{4}{5}$ superdiffusion process is considered in this paper. These spatial correlations have proved to be very effective…
We calculate the connective constant for self-avoiding walks on the simple cubic lattice to unprecedented accuracy, using a novel application of the pivot algorithm. We estimate that \mu = 4.684 039 931(27). Our method also provides…
Random walks on dynamic graphs have received increasingly more attention from different academic communities over the last decade. Despite the relatively large literature, little is known about random walks that construct the graph where…
Developing a robust algorithm for automatic individual tree crown (ITC) detection from laser scanning datasets is important for tracking the responses of trees to anthropogenic change. Such approaches allow the size, growth and mortality of…