相关论文: Interpolative Separable Density Fitting through Ce…
The possibility of performing quantum chemical calculations using quantum computers has attracted much interest. In this regard, variational quantum deflation (VQD) is a quantum-classical hybrid algorithm for the calculation of excited…
The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…
Nowadays, big data of digital media (including images, videos and 3D graphical models) are frequently modeled as low-dimensional manifold meshes embedded in a high-dimensional feature space. In this paper, we summarized our recent work on…
This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…
We present the formulation and implementation of the Integral-Screened Configuration-Interaction method (ISCI). The ISCI is a minimal-operational count integral-driven direct Configuration-Interaction (CI) method with a simple and rigorous…
We have developed a novel method of determining 2D radial density profiles for astronomical systems of discrete objects using Voronoi tessellations. This Voronoi-based method was tested against the standard annulus-based method on 5…
In this study the Voronoi interpolation is used to interpolate a set of points drawn from a topological space with higher homology groups on its filtration. The technique is based on Voronoi tessellation, which induces a natural dual map to…
The recently introduced Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) is an evolutionary algorithm capable of producing a large archive of diverse, high-performing solutions in a single run. It works by discretizing a…
A Cross-Product Free (CPF) Jacobi-Davidson (JD) type method is proposed to compute a partial generalized singular value decomposition (GSVD) of a large regular matrix pair $(A,B)$. It implicitly solves the mathematically equivalent…
In digital baseband processing, the forward error correction (FEC) unit belongs to the most demanding components in terms of computational complexity and power consumption. Hence, efficient implementation of FEC decoders is crucial for next…
In this paper, we propose a new virtual interpolation point method to formulate the discrete Stokes equations. We form virtual staggered structure for the velocity and pressure from the actual computation node set. The virtual interpolation…
We introduce a framework for the generation of grid-shell structures that is based on Voronoi diagrams and allows us to design tessellations that achieve excellent static performances. We start from an analysis of stress on the input…
A computationally inexpensive k.p-based interpolation scheme is developed that can extend the eigenvalues and momentum matrix elements of a sparsely sampled k-point grid into a densely sampled one. Dense sampling, often required to…
In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…
Recently, there has been a lot of research into tensor singular value decomposition (t-SVD) by using discrete Fourier transform (DFT) matrix. The main aims of this paper are to propose and study tensor singular value decomposition based on…
The need to compute the intersections between a line and a high-order curve or surface arises in a large number of finite element applications. Such intersection problems are easy to formulate but hard to solve robustly. We introduce a…
We propose a data-driven interpolation method for approximating real-valued functions on smooth manifolds, based on the Laplace--Beltrami operator and Voronoi tessellations. Given pointwise evaluations, the method constructs a continuous…
Accurately evaluating configurational integrals for dense solids remains a central and difficult challenge in the statistical mechanics of condensed systems. Here, we present a novel tensor network approach that reformulates the…
Efficient shape morphing techniques play a crucial role in the approximation of partial differential equations defined in parametrized domains, such as for fluid-structure interaction or shape optimization problems. In this paper, we focus…
Given a set of $n$ sites from $\mathbb{R}^d$, each having some positive weight factor, the Multiplicatively Weighted Voronoi Diagram is a subdivision of space that associates each cell to the site whose weighted Euclidean distance is…