相关论文: Fast summation of Stokes potentials using a new ke…

In this paper, a two-sided variable-coefficient space-fractional diffusion equation with fractional Neumann boundary condition is considered. To conquer the weak singularity caused by nonlocal space-fractional differential operators, a…

Density functional theory (DFT) calculations of charged molecules and surfaces are critical to applications in electro-catalysis, energy materials and related fields of materials science. DFT implementations such as the Vienna ab-initio…

An efficient finite-difference time-domain (FDTD) algorithm is built to solve the transverse electric 2D Maxwell's equations with inhomogeneous dielectric media where the electric fields are discontinuous across the dielectric interface.…

The spectral decomposition of the elastic wave operator in a layered isotropic half-space is derived by means of standard functional analytic methods. Particular attention is paid to the coupled $P$-$SV$ waves. The problem is formulated…

In the paper, we propose a class of accelerated stochastic gradient-free and projection-free (a.k.a., zeroth-order Frank-Wolfe) methods to solve the constrained stochastic and finite-sum nonconvex optimization. Specifically, we propose an…

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…

We present an efficient spin-photon interface for free-space vertical emission coupling. Using a \rev{dipole model}, we show that our design achieves a far-field collection efficiency of 96\% at the numerical aperture of 0.7 with a 95\%…

We derive a Fast Multipole Method (FMM) where a low-rank approximation of the kernel is obtained using the Empirical Interpolation Method (EIM). Contrary to classical interpolation-based FMM, where the interpolation points and basis are…

Density matrix embedding theory (DMET) [Phys. Rev. Lett., 109, 186404 (2012)], introduced a new approach to quantum cluster embedding methods, whereby the mapping of strongly correlated bulk problems to an impurity with finite set of bath…

We present a scalable implementation of the $GW$ approximation using Gaussian atomic orbitals to study the valence and core ionization spectroscopies of molecules. The implementation of the standard spectral decomposition approach to the…

A quantum algorithm for approximating efficiently 3--manifold topological invariants in the framework of SU(2) Chern-Simons-Witten (CSW) topological quantum field theory at finite values of the coupling constant k is provided. The model of…

Skew polynomials are a class of non-commutative polynomials that have several applications in computer science, coding theory and cryptography. In particular, skew polynomials can be used to construct and decode evaluation codes in several…

In the present paper we describe a simple black box algorithm for efficiently and accurately solving scattering problems related to the scattering of time-harmonic waves from radially-symmetric potentials in two dimensions. The method uses…

An Ewald decomposition of the two-dimensional Yukawa potential and its derivative is presented for both the periodic and the free-space case. These modified Bessel functions of the second kind of zeroth and first degrees are used e.g. when…

We demonstrate that a Meijer-G-function-based resummation approach can be successfully applied to approximate the Borel sum of divergent series, and thus to approximate the Borel-\'Ecalle summation of resurgent transseries in quantum field…

The Spreading Projection Algorithm for Rapid K-space samplING, or SPARKLING, is an optimization-driven method that has been recently introduced for accelerated 2D T2*-w MRI using compressed sensing. It has then been extended to address 3D…

Most kernel-based methods, such as kernel or Gaussian process regression, kernel PCA, ICA, or $k$-means clustering, do not scale to large datasets, because constructing and storing the kernel matrix $\mathbf{K}_n$ requires at least…

We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sham (KS) equations of density functional theory (DFT), with a focus on functionals based on the strictly-correlated electrons (SCE) regime,…

We present an efficient implementation of periodic Gaussian density fitting (GDF) using the Coulomb metric. The three-center integrals are divided into two parts by range-separating the Coulomb kernel, with the short-range part evaluated in…

Energy evaluation using fast Fourier transforms enables sampling billions of putative complex structures and hence revolutionized rigid protein-protein docking. However, in current methods efficient acceleration is achieved only in either…