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This article presents a new and efficient alternative to well established algorithms for molecular geometry optimization. The new approach exploits the approximate decoupling of molecular energetics in a curvilinear internal coordinate…

Materials Science · Physics 2007-05-23 Károly Németh , Matt Challacombe

A fully numerical method to calculate loop integrals, a numerical contour-integration method, is proposed. Loop integrals can be interpreted as a contour integral in a complex plane for an integrand with multi-poles in the plane. Stable and…

High Energy Physics - Phenomenology · Physics 2009-11-11 Y. Kurihara , T. Kaneko

Programmable optical circuits form a key part of quantum technologies today, ranging from transceivers for quantum communication to integrated photonic chips for quantum information processing. As the size of such circuits is increased,…

We use a set of Stackel potentials to obtain a local approximation for an effective third integral in axisymmetric systems. We present a study on the feasibility and effectiveness of this approach. We have applied it to three trial…

Astrophysics · Physics 2009-10-31 V. De Bruyne , F. Leeuwin , H. Dejonghe

Our previously-developed calculational method (the partial wave cutoff method) is employed to evaluate explicitly scalar one-loop effective actions in a class of radially symmetric background gauge fields. Our method proves to be…

High Energy Physics - Theory · Physics 2008-11-26 Gerald V. Dunne , Jin Hur , Choonkyu Lee , Hyunsoo Min

This paper introduces a new method for the efficient computation of oscillatory multidimensional lattice sums in geometries with boundaries. Such sums are ubiquitous in both pure and applied mathematics, and have immediate applications in…

Numerical Analysis · Mathematics 2024-03-07 Andreas A. Buchheit , Torsten Keßler , Kirill Serkh

Modern computer vision algorithms have brought significant advancement to 3D geometry reconstruction. However, illumination and material reconstruction remain less studied, with current approaches assuming very simplified models for…

Computer Vision and Pattern Recognition · Computer Science 2019-03-19 Dejan Azinović , Tzu-Mao Li , Anton Kaplanyan , Matthias Nießner

Reconstructing hand-held objects from monocular RGB images is an appealing yet challenging task. In this task, contacts between hands and objects provide important cues for recovering the 3D geometry of the hand-held objects. Though recent…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Junxing Hu , Hongwen Zhang , Zerui Chen , Mengcheng Li , Yunlong Wang , Yebin Liu , Zhenan Sun

The worldline formalism allows one to obtain compact integral representations combining the information of large numbers of Feynman diagrams. However, their analytic calculation leads to a non-standard integration problem for which existing…

We propose new local error estimators for splitting and composition methods. They are based on the construction of lower order schemes obtained at each step as a linear combination of the intermediate stages of the integrator, so that the…

Numerical Analysis · Mathematics 2019-10-29 Sergio Blanes , Fernando Casas , Mechthild Thalhammer

Correlation is a common technique for the detection of shifts. Its generalization to the multidimensional geometric correlation in Clifford algebras has been proven a useful tool for color image processing, because it additionally contains…

Computer Vision and Pattern Recognition · Computer Science 2013-07-10 Roxana Bujack , Gerik Scheuermann , Eckhard Hitzer

We introduce new methods for integrating nonlinear differential equations on low-rank manifolds. These methods rely on interpolatory projections onto the tangent space, enabling low-rank time integration of vector fields that can be…

Numerical Analysis · Mathematics 2024-11-05 Alec Dektor

Recently, implicit neural representations have gained popularity for learning-based 3D reconstruction. While demonstrating promising results, most implicit approaches are limited to comparably simple geometry of single objects and do not…

Computer Vision and Pattern Recognition · Computer Science 2020-08-04 Songyou Peng , Michael Niemeyer , Lars Mescheder , Marc Pollefeys , Andreas Geiger

We propose a novel iterative numerical method to solve the three-dimensional inverse obstacle scattering problem of recovering the shape of the obstacle from far-field measurements. To address the inherent ill-posed nature of the inverse…

Numerical Analysis · Mathematics 2024-04-18 Junqing Chen , Bangti Jin , Haibo Liu

Quantum embedding is an appealing route to fragment a large interacting quantum system into several smaller auxiliary `cluster' problems to exploit the locality of the correlated physics. In this work we critically review approaches to…

Strongly Correlated Electrons · Physics 2023-07-19 Max Nusspickel , Basil Ibrahim , George H. Booth

We propose a method for numerical calculation of driving and detuning transverse beam coupling impedances of an asymmetric cavity. The method relies on eigenmode simulations and can be viewed as an alternative to time domain wakefield…

Accelerator Physics · Physics 2019-12-25 S. Arsenyev , B. Salvant

Interpolation methodologies have been widely used within the domain of indoor positioning systems. However, existing indoor positioning interpolation algorithms exhibit several inherent limitations, including reliance on complex…

Machine Learning · Computer Science 2023-11-28 Suorong Yang , Geng Zhang , Jian Zhao , Furao Shen

Biological flyers and swimmers navigate in unsteady wake flows using limited sensory abilities and actuation energies. Understanding how vortical structures can be leveraged for energy-efficient navigation in unsteady flows is beneficial in…

Fluid Dynamics · Physics 2025-05-07 Vedasri Godavarthi , Kartik Krishna , Steven L. Brunton , Kunihiko Taira

Indoor light is known to be a new energy source to power uW low consumption wireless sensor networks (WSNs). For wireless electronic devices that consume tens of mW, it is still challenging to harvest this amount of power in a low light…

A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equations that arise in mathematical models for the electrostatics of molecules in solvent. The proposed method used an implicit…

Numerical Analysis · Mathematics 2018-04-04 Yimin Zhong , Kui Ren , Richard Tsai