相关论文: Object-oriented construction of a multigrid electr…

We study the problem of processing continuous k nearest neighbor (CkNN) queries over moving objects on road networks, which is an essential operation in a variety of applications. We are particularly concerned with scenarios where the…

In this work, we introduce an original self-consistent scheme based on the one-body reduced density matrix ($\gamma$) formalism. A significant feature of this methodology is the utilization of an optimal unitary transformation of the…

Iterative Fast Fourier Transform methods are useful for calculating the fields in composite materials and their macroscopic response. By iterating back and forth until convergence, the differential constraints are satisfied in Fourier…

The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the harmonics written in terms of normalized Cartesian…

Contemporary field-programmable gate arrays (FPGAs) are predestined for the application of finite impulse response (FIR) filters. Their embedded digital signal processing (DSP) blocks for multiply-accumulate operations enable efficient…

The density functional theory (DFT) in electronic structure calculations can be formulated as either a nonlinear eigenvalue or direct minimization problem. The most widely used approach for solving the former is the so-called…

Reconstructing signed distance functions (SDFs) from point cloud data benefits many robot autonomy capabilities, including localization, mapping, motion planning, and control. Methods that support online and large-scale SDF reconstruction…

We apply recently constructed functional bases to the numerical conformal bootstrap for 1D CFTs. We argue and show that numerical results in this basis converge much faster than the traditional derivative basis. In particular, truncations…

Kohn-Sham density functional theory (DFT) is a widely-used electronic structure theory for materials as well as molecules. DFT is needed especially for large systems, ab initio molecular dynamics, and high-throughput searches for functional…

In this paper we develop explicit and semi-implicit second-order high-resolution finite difference schemes for a structured coagulation-fragmentation model formulated on the space of Radon measures. We prove the convergence of each of the…

The integration of density functional theory (DFT) with machine learning enables efficient \textit{ab initio} electronic structure calculations for ultra-large systems. In this work, we develop a transfer learning framework tailored for…

This work presents the implementation, numerical examples and experimental convergence study of first- and second-order optimization methods applied to one-dimensional periodic gratings. Through boundary integral equations and shape…

This paper discusses the concept of model-driven software engineering applied to the Grid application domain. As an extension to this concept, the approach described here, attempts to combine both formal architecture-centric and…

In this paper we present a locally and dimension-adaptive sparse grid method for interpolation and integration of high-dimensional functions with discontinuities. The proposed algorithm combines the strengths of the generalised sparse grid…

This article proposes a new layered model to represent the spectrum assignment on flexible-grid optical networks. This model can reduce the time-complexity of existing routing and spectrum assignment methods by providing a data structure…

Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…

We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite element bases. Our mesh generation scheme, in which structured…

Model efficiency has become increasingly important in computer vision. In this paper, we systematically study neural network architecture design choices for object detection and propose several key optimizations to improve efficiency.…

We present a novel, integrated control framework designed to achieve seamless transitions among a spectrum of inverter operation modes. The operation spectrum includes grid-forming (GFM), grid-following (GFL), static synchronous compensator…

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…