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Molecular dynamics (MD) simulations allow atomistic insights into chemical and biological processes. Accurate MD simulations require computationally demanding quantum-mechanical calculations, being practically limited to short timescales…
The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The…
One of the central problems in the study of rarefied gas dynamics is to find the steady-state solution of the Boltzmann equation quickly. When the Knudsen number is large, i.e. the system is highly rarefied, the conventional iteration…
This paper proposes and analyzes a class of new weak Galerkin (WG) finite element methods for 2- and 3-dimensional linear elasticity problems. The methods use discontinuous piecewise-polynomial approximations of degrees $k(\geq 0)$ for the…
We propose an energy-stable parametric finite element method (ES-PFEM) for simulating solid-state dewetting of thin films in two dimensions via a sharp-interface model, which is governed by surface diffusion and contact line (point)…
This paper interprets the stabilized finite element method via residual minimization as a variational multiscale method. We approximate the solution to the partial differential equations using two discrete spaces that we build on a…
We develop higher order multipoint flux mixed finite element (MFMFE) methods for solving elliptic problems on quadrilateral and hexahedral grids that reduce to cell-based pressure systems. The methods are based on a new family of mixed…
This paper addresses the efficient solution of linear systems arising from curl-conforming finite element discretizations of $H(\mathrm{curl})$ elliptic problems with heterogeneous coefficients. We first employ the discrete form of a…
In this article, we present a new unified finite element method (UFEM) for simulation of general Fluid-Structure interaction (FSI) which has the same generality and robustness as monolithic methods but is significantly more computationally…
We consider the variable selection problem of generalized linear models (GLMs). Stability selection (SS) is a promising method proposed for solving this problem. Although SS provides practical variable selection criteria, it is…
Quasi-periodic solutions with multiple base frequencies exhibit the feature of $2\pi$-periodicity with respect to each of the hyper-time variables. However, it remains a challenge work, due to the lack of effective solution methods, to…
A key consideration in the development of numerical schemes for time-dependent partial differential equations (PDEs) is the ability to preserve certain properties of the continuum solution, such as associated conservation laws or other…
We investigate the use of piecewise linear systems, whose coefficient matrix is a piecewise constant function of the solution itself. Such systems arise, for example, from the numerical solution of linear complementarity problems and in the…
A new approach is discussed for solving large nonsymmetric systems of linear equations with multiple right-hand sides. The first system is solved with a deflated GMRES method that generates eigenvector information at the same time that the…
We investigate a quasicontinuum method by means of analytical tools. More precisely, we compare a discrete-to-continuum analysis of an atomistic one-dimensional model problem with a corresponding quasicontinuum model. We consider next and…
Finite element methods have been shown to achieve high accuracies in numerically solving the EEG forward problem and they enable the realistic modeling of complex geometries and important conductive features such as anisotropic…
We present and analyze a linearized finite element method (FEM) for the dynamical incompressible magnetohydrodynamics (MHD) equations. The finite element approximation is based on mixed conforming elements, where Taylor--Hood type elements…
This work develops a polygonal finite element method (PFEM) for the analysis of steady-state and transient thermal stresses in two dimensional continua. The method employs Wachspress rational basis functions to construct conforming…
The numerical simulation of rarefied gas mixtures with disparate mass and concentration is a huge research challenge. Based on our recent kinetic modelling for monatomic gas mixture flows, this problem is tackled by the general synthetic…
In this paper, we consider an efficient iterative approach to the solution of the discrete Helmholtz equation with Dirichlet, Neumann and Sommerfeld-like boundary conditions based on a compact sixth order approximation scheme and…