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In this short note, we present a new technique to accelerate the convergence of a FFT-based solver for numerical homogenization of complex periodic media proposed by Moulinec and Suquet in 1994. The approach proceeds from discretization of the governing integral equation by the trigonometric collocation method due to Vainikko (2000), to give a linear system which can be efficiently solved by conjugate gradient methods. Computational experiments confirm robustness of the algorithm with respect to its internal parameters and demonstrate significant increase of the convergence rate for problems with high-contrast coefficients at a low overhead per iteration.
In this paper, we first introduce the reader to the Basic Scheme of Moulinec and Suquet in the setting of quasi-static linear elasticity, which takes advantage of the fast Fourier transform on homogenized microstructures to accelerate otherwise time-
In this paper we present a customized finite-difference-time-domain (FDTD) Maxwell solver for the particle-in-cell (PIC) algorithm. The solver is customized to effectively eliminate the numerical Cerenkov instability (NCI) which arises when a plasma
A hybrid Maxwell solver for fully relativistic and electromagnetic (EM) particle-in-cell (PIC) codes is described. In this solver, the EM fields are solved in $k$ space by performing an FFT in one direction, while using finite difference operators in
We present an efficient, linear-scaling implementation for building the (screened) Hartree-Fock exchange (HFX) matrix for periodic systems within the framework of numerical atomic orbital (NAO) basis functions. Our implementation is based on the loca
Electronic-structure theory is a strong pillar of materials science. Many different computer codes that employ different approaches are used by the community to solve various scientific problems. Still, the precision of different packages has only re