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We present a novel scheme to accurately predict atomic forces as vector quantities, rather than sets of scalar components, by Gaussian Process (GP) Regression. This is based on matrix-valued kernel functions, on which we impose the…

化学物理 · 物理学 2017-06-14 Aldo Glielmo , Peter Sollich , Alessandro De Vita

This paper presents two approaches: the virtual element method (VEM) and the stabilization-free virtual element method (SFVEM) for analyzing thermomechanical behavior in electronic packaging structures with geometric multi-scale features.…

数值分析 · 数学 2025-12-29 Yanpeng Gong , Sishuai Li , Fei Qin , Bingbing Xu

A refined a priori error analysis of the lowest order (linear) Virtual Element Method (VEM) is developed for approximating a model two dimensional Poisson problem. A set of new geometric assumptions is proposed on shape regularity of…

数值分析 · 数学 2018-10-25 Shuhao Cao , Long Chen

Two dimensional (2D) integration has been the traditional approach for IC integration. Due to increasing demands for providing electronic devices with superior performance and functionality in more efficient and compact packages, has driven…

其他计算机科学 · 计算机科学 2008-12-18 Rozalia Beica , Charles Sharbono , Tom Ritzdorf

We compare convergence of isogeometric analysis (IGA), a spline modification of finite element method (FEM), with FEM in the context of our real space code for ab-initio electronic structure calculations of non-periodic systems. The…

计算物理 · 物理学 2021-01-07 Robert Cimrman , Matyáš Novák , Radek Kolman , Miroslav Tůma , Jiří Vackář

Voronoi constellations (VCs) are finite sets of vectors of a coding lattice enclosed by the translated Voronoi region of a shaping lattice, which is a sublattice of the coding lattice. In conventional VCs, the shaping lattice is a scaled-up…

信息论 · 计算机科学 2024-01-25 S. Li , A. Mirani , M. Karlsson , E. Agrell

The generation of high-quality staggered unstructured grids is considered, leading to the development of a new optimisation-based strategy designed to construct weighted `Regular-Power' tessellations appropriate for co-volume type numerical…

计算几何 · 计算机科学 2018-09-26 Darren Engwirda

The well-known spatial integration schemes in molecular electronic structure theory, immune to cusps and point singularities of some kind at atomic positions, use a set of weighting functions to split the integrand into a sum of…

化学物理 · 物理学 2022-09-14 Dimitri N. Laikov

We describe and analyze a simple algorithm for principal component analysis and singular value decomposition, VR-PCA, which uses computationally cheap stochastic iterations, yet converges exponentially fast to the optimal solution. In…

机器学习 · 计算机科学 2015-08-03 Ohad Shamir

Slicing a Voronoi tessellation in $\mathbb{R}^n$ with a $k$-plane gives a $k$-dimensional weighted Voronoi tessellation, also known as power diagram or Laguerre tessellation. Mapping every simplex of the dual weighted Delaunay mosaic to the…

概率论 · 数学 2019-06-18 Herbert Edelsbrunner , Anton Nikitenko

Probing the structure of complex astrophysical objects requires effective three-dimensional (3D) numerical simulation of the relevant radiative transfer (RT) processes. As with any numerical simulation code, the choice of an appropriate…

天体物理仪器与方法 · 物理学 2015-06-17 Peter Camps , Maarten Baes , Waad Saftly

We present a new approach for obtaining very precise integration results for infrared vertex and box diagrams, where the integration is carried out directly without performing any analytic integration of Feynman parameters. Using an…

高能物理 - 唯象学 · 物理学 2008-12-18 F. Yuasa , E. de Doncker , J. Fujimoto , N. Hamaguchi , T. Ishikawa , Y. Shimizu

A fast multilevel algorithm based on directionally scaled tensor-product Gaussian kernels on structured sparse grids is proposed for interpolation of high-dimensional functions and for the numerical integration of high-dimensional…

数值分析 · 数学 2015-01-15 Zhaonan Dong , Emmanuil H. Georgoulis , Jeremy Levesley , Fuat Usta

A high order, deterministic direct numerical method is proposed for the nonrelativistic $2D_{\bf x} \times 3D_{\bf v}$ Vlasov-Maxwell system, coupled with Fokker-Planck-Landau type operators. Such a system is devoted to the modelling of…

数值分析 · 数学 2015-05-13 Roland Duclous , Bruno Dubroca , Francis Filbet , Vldimir Tikhonchuk

We consider the problem of numerical integration for weighted anchored and ANOVA Sobolev spaces of $s$-variate functions. Here $s$ is large including $s=\infty$. Under the assumption of sufficiently fast decaying weights, we prove in a…

数值分析 · 数学 2015-09-16 P. Kritzer , F. Pillichshammer , G. W. Wasilkowski

This paper introduces nucleus clustering in Voronoi tessellations of plane surfaces with applications in the geometry of digital images. A \emph{nucleus cluster} is a collection of Voronoi regions that are adjacent to a Voronoi region…

度量几何 · 数学 2016-02-15 J. F. Peters , E. Inan

We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simultaneous linear equations. The electronic structure calculation…

材料科学 · 物理学 2011-02-02 T. Fujiwara , S. Yamamoto , T. Hoshi , S. Nishino , H. Teng , T. Sogabe , S. -L. Zhang , M. Ikeda , M. Nakashima , N. Watanabe

This paper presents a grid-free simulation algorithm for the fully three-dimensional Vlasov--Poisson system for collisionless electron plasmas. We employ a standard particle method for the numerical approximation of the distribution…

数值分析 · 数学 2020-03-06 Torsten Keßler , Sergej Rjasanow , Steffen Weißer

Swarm robotics, or very large-scale robotics (VLSR), has many meaningful applications for complicated tasks. However, the complexity of motion control and energy costs stack up quickly as the number of robots increases. In addressing this…

机器人学 · 计算机科学 2024-10-04 James Gao , Jacob Lee , Yuting Zhou , Yunze Hu , Chang Liu , Pingping Zhu

The Vlasov-Poisson system with massless electrons (VPME) is widely used in plasma physics to model the evolution of ions in a plasma. It differs from the Vlasov-Poisson system (VP) for electrons in that the Poisson coupling has an…

偏微分方程分析 · 数学 2021-05-27 Megan Griffin-Pickering , Mikaela Iacobelli