相关论文: A Grid-free Approach for Simulating Sweep and Cycl…

A scale-resolving simulation methodology that includes stochastic energy backscatter is incorporated into a proprietary block-structured compressible flow solver. Particular attention is devoted to the discretisation of the convective terms…

Molecular dynamics are extremely complex, yet understanding the slow components of their dynamics is essential to understanding their macroscopic properties. To achieve this, one models the molecular dynamics as a stochastic process and…

In this paper, we propose a new Green's function embedding method called PEXSI-$\Sigma$ for describing complex systems within the Kohn-Sham density functional theory (KSDFT) framework, after revisiting the physics literature of Green's…

In this work, we propose a novel selective discontinuity sensor approach for numerical simulations of the compressible Navier-Stokes equations. Since transformation to characteristic space is already a common approach to reduce…

Acoustic room modes and the Green's function mode expansion are well-known for rectangular rooms with perfectly reflecting walls. First-order approximations also exist for nearly rigid boundaries; however, current analytical methods fail to…

Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…

In this paper, we propose a novel approach to obtaining a reliable and simple mathematical model of a dielectrophoretic force for model-based feedback micromanipulation. Any such model is expected to sufficiently accurately relate the…

We present a new finite volume scheme for anisotropic heterogeneous diffusion problems on unstructured irregular grids, which simultaneously gives an approximation of the solution and of its gradient. In the case of simplicial meshes, the…

This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…

The popular, stable, robust and computationally inexpensive cubic spline interpolation algorithm is adopted and used for finite temperature Green's function calculations of realistic systems. We demonstrate that with appropriate…

We consider the expansion of wave packets governed by the free Schr\"odinger equation. This seemingly simple task plays an important role in simulations of various quantum experiments and in particular in the field of matter-wave…

Due to the high computational load of modern numerical simulation, there is a demand for approaches that would reduce the size of discrete problems while keeping the accuracy reasonable. In this work, we present an original algorithm to…

Stochastic differential equations (SDEs) or diffusions are continuous-valued continuous-time stochastic processes widely used in the applied and mathematical sciences. Simulating paths from these processes is usually an intractable problem,…

Grids are a general representation for capturing regularly-spaced information, but since they are uniform in space, they cannot dynamically allocate resolution to regions with varying levels of detail. There has been some exploration of…

Predicting the evolution of spatiotemporal physical systems from sparse and scattered observational data poses a significant challenge in various scientific domains. Traditional methods rely on dense grid-structured data, limiting their…

We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based…

The recently developed energy conserving semi-implicit method (ECsim) for PIC simulation is applied to multiple scale problems where the electron-scale physics needs to be only partially retained and the interest is on the macroscopic or…

Holes in a Mott insulator are represented by spinless fermions in the fermion-boson model introduced by Edwards. Although the physically interesting regime is for low to moderate fermion density the model has interesting properties over the…

In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. This multiphysics algorithm employs an Eulerian description of fluid and ions, combined…

We propose a new method for sampling from stationary Gaussian random field on a grid which is not regular but has a regular block structure which is often the case in applications. The introduced block circulant embedding method (BCEM) can…