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

We examine the atomistic scale dependence of material's resistance-to-failure by numerical simulations and analytical analysis in electrical analogs of brittle crystals. We show that fracture toughness depends on the lattice geometry in a…

Lattice Quantum Chromodynamics (QCD) is an approach used by theoretical physicists to model the strong nuclear force. This works at the sub-nuclear scale to bind quarks together into hadrons including the proton and neutron. One of the long…

Machine-learning force fields (MLFF) should be accurate, computationally and data efficient, and applicable to molecules, materials, and interfaces thereof. Currently, MLFFs often introduce tradeoffs that restrict their practical…

An accurate force calculation with the Poisson-Boltzmann equation is challenging, as it requires the electric field on the molecular surface. Here, we present a calculation of the electric field on the solute-solvent interface that is exact…

We propose and analyze a mixed finite element method for the spatial approximation of a time-fractional Fokker--Planck equation in a convex polyhedral domain, where the given driving force is a function of space. Taking into account the…

We report on lattice calculations of the $B$ meson decay constant and the B-parameters using the NRQCD action for heavy quark. We performed a set of calculations at three lattice spacings in the quenched approximation in order to…

In this work, we employ the Constraint Energy Minimizing Generalized Multiscale Finite Element Method (CEM-GMsFEM) to solve the problem of linear heterogeneous poroelasticity with coefficients of high contrast. The proposed method makes use…

Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which cannot be modeled using a single approach. We present a variety of new results…

Over the last decade, the Lattice Boltzmann method has found major scope for the simulation of a large spectrum of problems in soft matter, from multiphase and multi-component microfluidic flows, to foams, emulsions, colloidal flows, to…

We present a stable finite element method for incompressible nonlinear elasticity based on a four-field mixed formulation involving the displacement, displacement gradient, first Piola--Kirchhoff stress and pressure. Unlike existing…

Cascaded lattice-Boltzmann method (Cascaded-LBM) employs a new class of collision operators aiming to improve numerical stability. It achieves this and distinguishes from other collision operators, such as in the standard single or multiple…

We study multivariate numerical integration of smooth functions in weighted Sobolev spaces with dominating mixed smoothness $\alpha\geq 2$ defined over the $s$-dimensional unit cube. We propose a new quasi-Monte Carlo (QMC)-based quadrature…

It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of…

We report on a recent computation of the form factors in semi-leptonic decays of the $\mathrm{B}_\mathrm{s}$ using Heavy Quark Effective Theory (HQET) formalism applied on the lattice. The connection of the form factors with the 2-point and…

We provide a template to derive convergence rates for the following popular versions of the Frank-Wolfe algorithm on polytopes: vanilla Frank-Wolfe, Frank-Wolfe with away steps, Frank-Wolfe with blended pairwise steps, and Frank-Wolfe with…

A method to extract B-physics parameters (b-quark mass and fB, fBs decay constants) from currently available lattice data is presented and tested. The approach is based on the idea of constructing appropriate ratios of heavy-light meson…

We determine the fine-tuning of the Yukawa couplings of supersymmetric QCD, discretized on a lattice. We use perturbation theory at one-loop level. The Modified Minimal Subtraction scheme ($\overline{{\rm MS}}$) is employed; by its…

The birth of the lattice Boltzmann method (LBM) fulfils a dream that simple arithmetic calculations can simulate complex fluid flows without solving complicated partial differential flow equations. Its power and potential of resolving more…

We present results of lattice computations using overlap fermions on a twisted mass background. $N_f=2$ full QCD gauge configurations have been produced by the ETM Collaboration with very light pions (down to less than 300 MeV), with small…

We present a coherent filtering scheme which dramatically reduces the site occupation number defects for atoms in an optical lattice, by transferring a chosen number of atoms to a different internal state via adiabatic passage. With the…