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We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…

Materials Science · Physics 2009-10-31 U. V. Waghmare , Hanchul Kim , I. J. Park , Normand Modine , P. Maragakis , Efthimios Kaxiras

The spectral decomposition of a symmetric, second-order tensor is widely adopted in many fields of Computational Mechanics. As an example, in elasto-plasticity under large strain and rotations, given the Cauchy deformation tensor, it is a…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Andrea Panteghini

The overarching goal of this work is to develop an accurate, robust, and stable methodology for finite deformation modeling using strong-form peridynamics (PD) and the correspondence modeling framework. We adopt recently developed methods…

Numerical Analysis · Mathematics 2020-04-27 Masoud Behzadinasab , John T. Foster , Yuri Bazilevs

This article presents a new approach to the real-time solution of inverse problems on embedded systems. The class of problems addressed corresponds to ordinary differential equations (ODEs) with generalized linear constraints, whereby the…

Discrete Mathematics · Computer Science 2014-06-03 Christoph Gugg , Matthew Harker , Paul O'Leary , Gerhard Rath

Turbulence is a dominant feature operating in gaseous flows across nearly all scales in astrophysical environments. Accordingly, accurately estimating the statistical properties of such flows is necessary for developing a comprehensive…

Solar and Stellar Astrophysics · Physics 2014-11-27 Lukas Konstandin , Rahul Shetty , Philipp Girichidis , Ralf S. Klessen

Despite their popularity in the field of continuous optimisation, second-order quasi-Newton methods are challenging to apply in machine learning, as the Hessian matrix is intractably large. This computational burden is exacerbated by the…

Machine Learning · Computer Science 2024-02-28 Elre T. Oldewage , Ross M. Clarke , José Miguel Hernández-Lobato

Magnetic Resonance Elastography (MRE) has become an essential tool in assessing the mechanical properties of soft tissues in-vivo, prompting significant progress in new inversion algorithms. This creates a need for a benchmarking framework…

Numerical Analysis · Mathematics 2026-04-06 Yashasvi Verma , Jakob Schattenfroh , Ingolf Sack , Silvia Budday , Paul Steinmann , Luca Heltai

In this paper, we extend the method proposed by Cochelin and Vergez [A high order purely frequency-based harmonic balance formulation for continuation of periodic solutions, Journal of Sound and Vibration, 324 (2009) 243-262] to the case of…

Classical Physics · Physics 2012-11-29 Sami Karkar , Bruno Cochelin , Christophe Vergez

We present a novel general framework to deal with forward and backward components of the electromagnetic field in axially-invariant nonlinear optical systems, which include those having any type of linear or nonlinear transverse…

This manuscript explores a variational quantum formulation for nonlinear elasticity problems arising from hyperelastic material models, targeting near term noisy intermediate scale quantum (NISQ) devices. The approach leverages the…

Quantum Physics · Physics 2026-05-29 Uditnarayan Kouskiya , Caglar Oskay

Interpreting scattered acoustic and electromagnetic wave patterns is a computational task that enables remote imaging in a number of important applications, including medical imaging, geophysical exploration, sonar and radar detection, and…

Computational Physics · Physics 2025-04-03 Owen Melia , Olivia Tsang , Vasileios Charisopoulos , Yuehaw Khoo , Jeremy Hoskins , Rebecca Willett

We develop a fast and accurate method for 3D alignment, recovering the rotation and translation that best align a reference volume with a noisy observation. Classical matched filtering evaluates cross-correlation over a large discretized…

Signal Processing · Electrical Eng. & Systems 2026-03-17 Fabian Kruse , Valentin Debarnot , Vinith Kishore , Ivan Dokmanić

It is known that the restarted full orthogonalization method (FOM) outperforms the restarted generalized minimum residual (GMRES) method in several circumstances for solving shifted linear systems when the shifts are handled simultaneously.…

Numerical Analysis · Mathematics 2021-03-16 Xian-Ming Gu , Ting-Zhu Huang , Guojian Yin , Bruno Carpentieri , Chun Wen , Lei Du

We consider minimizing a smooth and strongly convex objective function using a stochastic Newton method. At each iteration, the algorithm is given an oracle access to a stochastic estimate of the Hessian matrix. The oracle model includes…

Optimization and Control · Mathematics 2022-11-29 Sen Na , Michał Dereziński , Michael W. Mahoney

The paper extends the formulation of a 2D geometrically exact beam element proposed in our previous paper [1] to curved elastic beams. This formulation is based on equilibrium equations in their integrated form, combined with the kinematic…

Computational Engineering, Finance, and Science · Computer Science 2022-10-06 Martin Horák , Emma La Malfa Ribolla , Milan Jirásek

Shear to longitudinal mode conversion via second harmonic generation is studied theoretically and computationally for plane waves in a two-dimensional, adhesive, hexagonally close-packed microscale granular medium. The model includes…

Materials Science · Physics 2016-10-27 Samuel P. Wallen , Nicholas Boechler

We extend the entropy-stable oscillation-eliminating discontinuous Galerkin spectral element method (ES-OEDG) on curvilinear meshes to adaptive mesh refinement (AMR) grids with nonconforming interfaces. The formulation targets…

Numerical Analysis · Mathematics 2026-04-24 Jieling Yang , Guosheng Fu

Second-order partial differential equations in non-divergence form are considered. Equations of this kind typically arise as subproblems for the solution of Hamilton-Jacobi-Bellman equations in the context of stochastic optimal control, or…

Numerical Analysis · Mathematics 2020-08-13 Jan Blechschmidt , Roland Herzog , Max Winkler

High-dimensional partial differential equations (PDE) appear in a number of models from the financial industry, such as in derivative pricing models, credit valuation adjustment (CVA) models, or portfolio optimization models. The PDEs in…

Numerical Analysis · Mathematics 2020-07-15 Christian Beck , Weinan E , Arnulf Jentzen

The study of turbulent flows calls for measurements with high resolution both in space and in time. We propose a new approach to reconstruct High-Temporal-High-Spatial resolution velocity fields by combining two sources of information that…

Fluid Dynamics · Physics 2017-07-10 Linh Van Nguyen , Jean-Philippe Laval , Pierre Chainais