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Accurately capturing the dynamic forces acting on rotors as well as their wake effects presents a significant challenge for computational fluid dynamics (CFD) due to high Reynolds numbers and a large range of spatio-temporal scales. The…
We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are…
Rayleigh-B\'enard convection is numerically simulated in two- and three-dimensions using a recently developed two-component lattice Boltzmann equation (LBE) method. The density field of the second component, which evolves according to the…
Despite ongoing global initiatives to reduce CO2 emissions, implementing large-scale CO2 capture using amine solvents is fraught with economic uncertainties and technical hurdles. The Rotating Packed Bed (RPB) presents a promising…
This paper develops a robust dynamic mode decomposition (RDMD) method endowed with statistical and numerical robustness. Statistical robustness ensures estimation efficiency at the Gaussian and non-Gaussian probability distributions,…
An approximation algorithm is proposed to transform truncated QCD (or QED) series for observables. The approximation is a modification of the Baker-Gammel approximants, and is independent of the renormalization scale (RScl) $\mu$ -- the…
Randomized Kaczmarz-type methods are widely used for their simplicity and efficiency in solving large-scale linear systems and optimization problems. However, their applicability is limited when dealing with inconsistent systems or…
We describe the numerical scheme for the discretization and solution of 2D elliptic equations with strongly varying piecewise constant coefficients arising in the stochastic homogenization of multiscale composite materials. An efficient…
The phase transition "Coulomb-confinement" in the U(1) regularized gauge theory is considered in the framework of dual Abelian Higgs model of scalar monopoles (shortly: Higgs monopole model). The effective potential analogous to the…
With the traditional equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space in complex systems, which are separated into some metastable conformational regions by high free energy…
Projected Entangled Pair States (PEPS) are recognized as a potent tool for exploring two-dimensional quantum many-body systems. However, a significant challenge emerges when applying conventional PEPS methodologies to systems with periodic…
Accurate and efficient predictions of the quasiparticle properties of complex materials remain a major challenge due to the convergence issue and the unfavorable scaling of the computational cost with respect to the system size.…
An embedded selective recoupling method is proposed which is based on the idea of embedding the recently proposed deterministic selective recoupling scheme of Yamaguchi et al. [quant-ph/0411099] into a stochastic dynamical decoupling…
We search for efficient disentanglers on random Clifford circuits of two-qubit gates arranged in a brick-wall pattern, using the proximal policy optimization (PPO) algorithm \cite{schulman2017proximalpolicyoptimizationalgorithms}.…
As a counterpoint to classical stochastic particle methods for linear diffusion equations, we develop a deterministic particle method for the weighted porous medium equation (WPME) and prove its convergence on bounded time intervals. This…
Molecular dynamics (MD) simulations of complex electrochemical systems, such as ionic liquid supercapacitors, are increasingly including the constant potential method (CPM) to model conductive electrodes at specified potential difference,…
In a recent letter [Phys. Rev. Lett. {\bf 100}, 164101 (2008)] and within the context of quantized chaotic billiards, random plane wave and semiclassical theoretical approaches were applied to an example of a relatively new class of…
This paper studies the coordinated beamforming (CoBF) design for the multiple-input single-output interference channel, provided that only channel distribution information is known to the transmitters. The problem under consideration is a…
The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that…
Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…