相关论文: A Grid-free Approach for Simulating Sweep and Cycl…
The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using…
This paper proposes a novel and rapid calibration-free wavelength modulation spectroscopy algorithm based on even-order harmonics. The proposed algorithm, analytically deduced from Voigt line-shape function, only involves simple algebraic…
We address the problem of local flux redistribution in networked systems. The aim is to detect a suitable cluster which is able to locally adsorb a disturbance by means of an appropriate redistribution of control load among its nodes, such…
An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function,…
We study estimates of the Green's function in $\mathbb{R}^d$ with $d \ge 2$, for the linear second order elliptic equation in divergence form with variable uniformly elliptic coefficients. In the case $d \ge 3$, we obtain estimates on the…
We propose a data reduction technique for scattered data based on statistical sampling. Our void-and-cluster sampling technique finds a representative subset that is optimally distributed in the spatial domain with respect to the blue noise…
In this paper, we propose a simple hybrid WENO scheme to increase computational efficiency and decrease numerical dissipation. Based on the characteristic-wise approach, the scheme switches the numerical flux of each characteristic…
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the…
A local weighted discontinuous Galerkin gradient discretization method for solving elliptic equations is introduced. The local scheme is based on a coarse grid and successively improves the solution solving a sequence of local elliptic…
This paper tests a dielectric model for variation of hydration free energy with geometry of complex solutes in water. It works out some basic aspects of the theory of boundary integral methods for these problems. One aspect of the…
We present a non-staggered method for the Maxwell equations in adaptively refined grids. The code is based on finite volume central scheme that preserves in a discrete form both divergence-free property of magnetic field and the Gauss law.…
We discuss an integral equation approach that enables fast computation of the response of nonlinear multi-degree-of-freedom mechanical systems under periodic and quasi-periodic external excitation. The kernel of this integral equation is a…
This paper aims at an efficient strategy to solve drift-diffusion problems with non-linear boundary conditions as they appear, e.g., in heterogeneous catalysis. Since the non-linearity only involves the degrees of freedom along (a part of)…
We present a worm sampling method for calculating one- and two-particle Green's functions using continuous-time quantum Monte Carlo simulations in the hybridization expansion (CT-HYB). Instead of measuring Green's functions by removing…
Frequency domain Mie solutions to scattering from spheres have been used for a long time. However, deriving their transient analogue is a challenge as it involves an inverse Fourier transform of the spherical Hankel functions (and their…
The single-particle Green's function (GF) of mesoscopic structures plays a central role in mesoscopic quantum transport. The recursive GF technique is a standard tool to compute this quantity numerically, but it lacks physical transparency…
This document contains extended mathematical derivations for the communication-free and model-free algorithms that can actively control converter-connected devices, and can operate either as stand-alone or in combination with centralized…
A method is given to obtain the Green's function for the Poisson equation in any arbitrary integer dimension under periodic boundary conditions. We obtain recursion relations which relate the solution in d-dimensional space to that in…
We describe a charge-conserving scatter-gather algorithm for particle-in-cell simulations on unstructured grids. Charge conservation is obtained from first principles, i.e., without the need for any post-processing or correction steps. This…
A new parallel, computationally efficient immersed boundary method for solving three-dimensional, viscous, incompressible flows on unbounded domains is presented. Immersed surfaces with prescribed motions are generated using the…