相关论文: Force-Based Atomistic/Continuum Blending for Multi…

We study the efficient construction of good polynomial lattice rules, which are special instances of quasi-Monte Carlo (QMC) methods. The integration rules obtained are of particular interest for the approximation of multivariate integrals…

I convey an idea of the significant recent progress, which opens up good perspectives for high-precision ab-initio computations in heavy flavour physics based on lattice QCD. This report focuses on the strategy and the challenges of fully…

Adaptive quasicontinuum (QC) methods are important methodologies in molecular mechanics for the simulations of materials with defects, intending to achieve the optimal balance of accuracy and efficiency on the fly. In this study, we propose…

We study multivariate integration over the $s$-dimensional unit cube in a weighted space of infinitely differentiable functions. It is known from a recent result by Suzuki that there exists a good quasi-Monte Carlo (QMC) rule which achieves…

This paper presents the formulation and analysis of a mixed finite element method for a hemivariational inequality arising from the stationary convective Brinkman-Forchheimer extended Darcy (CBFeD) equations. This model extends the…

We formulate a new atomistic/continuum (a/c) coupling scheme that employs the boundary element method (BEM) to obtain an improved far-field boundary condition. We establish sharp error bounds in a 2D model problem for a point defect…

In contrast to the commonly used lattice Boltzmann method, off-lattice Boltzmann methods decouple the velocity discretization from the underlying spatial grid, thus allowing for more efficient geometric representations of complex…

We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Near the defect core the method employs a potential-based atomistic model, which enables accurate simulation of the…

We propose a method to non-perturbatively calculate the forward-scattering matrix elements relevant to inclusive semi-leptonic B meson decays. Corresponding hadronic structure functions at unphysical kinematics are accessible through…

We investigate Machine-Learned Force Fields (MLFFs) trained on approximate Density Functional Theory (DFT) and Coupled Cluster (CC) level potential energy surfaces for the carbon diamond and lithium hydride solids. We assess the accuracy…

We demonstrate the design of a matterwave interferometer to measure acceleration in one dimension with high precision. The system we base this on consists of ultracold atoms in an optical lattice potential created by interfering laser…

Recent progress of lattice QCD study of nuclear forces (potentials) is reviewed. Scattering phase shift is an important observable for two particle system. In lattice QCD, phase shifts are calculated from long distance behavior of…

We present in this paper a rigorous theoretical framework to show stability, convergence and accuracy of improved edge-based and face-based smoothed finite element methods (bESFEM and bFS-FEM) for nearly-incompressible elasticity problems.…

We comment on the reweighting method for the study of finite density lattice QCD. We discuss the applicable parameter range of the reweighting method for models which have more than one simulation parameter. The applicability range is…

We prove the convergence of an adaptive mixed finite element method (AMFEM) for (nonsymmetric) convection-diffusion-reaction equations. The convergence result holds from the cases where convection or reaction is not present to convection-or…

Simulation of multiphase flows require coupled capturing or tracking of the interfaces in conjunction with the solution of fluid motion often occurring at multiple scales. We will present unified cascaded LB methods based on central moments…

For multiscale gas flows, kinetic-continuum hybrid method is usually used to balance the computational accuracy and efficiency. However, the kinetic-continuum coupling is not straightforward since the coupled methods are based on different…

The pseudopotential method is one of the most popular extensions of the lattice Boltzmann method (LBM) for phase change and multiphase flow simulation. One attractive feature of the original proposed method consists on its simplicity of…

A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…

We give an analysis of a continuation algorithm for the numerical solution of the force-based quasicontinuum equations. The approximate solution of the force-based quasicontinuum equations is computed by an iterative method using an…