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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…

Chemical Physics · Physics 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.…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Other Computer Science · Computer Science 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…

Computational Physics · Physics 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…

Information Theory · Computer Science 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…

Computational Geometry · Computer Science 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…

Chemical Physics · Physics 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…

Machine Learning · Computer Science 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…

Probability · Mathematics 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…

Instrumentation and Methods for Astrophysics · Physics 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…

High Energy Physics - Phenomenology · Physics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Metric Geometry · Mathematics 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…

Materials Science · Physics 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…

Numerical Analysis · Mathematics 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…

Robotics · Computer Science 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…

Analysis of PDEs · Mathematics 2021-05-27 Megan Griffin-Pickering , Mikaela Iacobelli
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