Related papers: Force-Based Atomistic/Continuum Blending for Multi…

This manuscript presents the Quantum Finite Element Method (Q-FEM) developed for use in noisy intermediate-scale quantum (NISQ) computers and employs the variational quantum linear solver (VQLS) algorithm. The proposed method leverages the…

We present a numerically efficient and accurate Multiple Scattering formalism, which is a generalization of the Multiple Scattering method with a truncated basis set [X. -G. Zhang and W. H. Butler, Phys. Rev. B 46,7433 (1992)]. Compared to…

Classical force fields (FF) based on machine learning (ML) methods show great potential for large scale simulations of materials. MLFFs have hitherto largely been designed and fitted for specific systems and are not usually transferable to…

A unified framework to derive discrete time-marching schemes for coupling of immersed solid and elastic objects to the lattice Boltzmann method is presented. Based on operator splitting for the discrete Boltzmann equation, second-order…

We demonstrate a method for calculating the neutral B-meson decay constants and mixing matrix elements in unquenched lattice QCD with domain-wall light quarks and static b-quarks. Our computation is performed on the "2+1" flavor gauge…

Continuum robots offer high flexibility and multiple degrees of freedom, making them ideal for navigating narrow lumens. However, accurately modeling their behavior under large deformations and frequent environmental contacts remains…

During the last years, the ALPHA collaboration has been developing and implementing a method based on Heavy Quark Effective Theory (HQET) to compute B-mesons observables through lattice simulations. Thanks to a non-perturbative matching to…

In this paper we consider the numerical upscaling of the Brinkman equation in the presence of high-contrast permeability fields. We develop and analyze a robust and efficient Generalized Multiscale Finite Element Method (GMsFEM) for the…

In this paper, we define new unfitted finite element methods for numerically approximating the solution of surface partial differential equations using bulk finite elements. The key idea is that the $n$-dimensional hypersurface, $\Gamma…

We present a posteriori error estimates for a recently developed atomistic/continuum coupling method, the Consistent Energy-Based QC Coupling method. The error estimate of the deformation gradient combines a residual estimate and an a…

We present a multiscale finite element method for a diffusion problem with rough and high contrast coefficients. The construction of the multiscale finite element space is based on the localized orthogonal decomposition methodology and it…

We propose numerical simulations of viscoelastic fluids based on a hybrid algorithm combining Lattice-Boltzmann models (LBM) and Finite Differences (FD) schemes, the former used to model the macroscopic hydrodynamic equations, and the…

We introduce a mixed-action approach based on CLS ensembles, where a valence $N_f$=2+1+1 Twisted Mass QCD action is combined with the $N_f$=2+1 non-perturbatively O$(a)$-improved Wilson sea sector. We show that for maximally twisted valence…

Controlling the crystal phase and lattice mismatch of semiconductors offers a powerful route to engineer electronic and optical properties of heterostructures. As a consequence, semiconductors in the wurtzite phase are increasingly sought…

We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…

The flux-mortar mixed finite element method was recently developed for a general class of domain decomposition saddle point problems on non-matching grids. In this work we develop the method for Darcy flow using the multipoint flux…

The dual continuum model serves as a powerful tool in the modeling of subsurface applications. It allows a systematic coupling of various components of the solutions. The system is of multiscale nature as it involves high heterogeneous and…

We develop a cut finite element method (CutFEM) for convection-diffusion problems posed on mixed-dimensional domains, i.e., unions of manifolds of different dimensions arranged in a hierarchical structure where lower-dimensional components…

We present a mixed finite element method with triangular and parallelogram meshes for the Kirchhoff-Love plate bending model. Critical ingredient is the construction of low-dimensional local spaces and appropriate degrees of freedom that…

Computational modeling of contact is fundamental to many engineering applications, yet accurately and efficiently solving complex contact problems remains challenging. In this work, we propose a new contact algorithm that computes contact…