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In order to accelerate molecular dynamics simulations, it is very common to impose holonomic constraints on their hardest degrees of freedom. In this way, the time step used to integrate the equations of motion can be increased, thus…

Biological Physics · Physics 2013-06-21 Pablo García-Risueño , Pablo Echenique , José Luis Alonso

This paper outlines an approach towards improved rigour in tokamak turbulence transport model validation within integrated modelling. Gaussian process regression (GPR) techniques were applied for profile fitting during the preparation of…

We present our ongoing work aimed at accelerating a particle-resolved direct numerical simulation model designed to study aerosol-cloud-turbulence interactions. The dynamical model consists of two main components - a set of fluid dynamics…

In transient simulations of particulate Stokes flow, to accurately capture the interaction between the constituent particles and the confining wall, the discretization of the wall often needs to be locally refined in the region approached…

Numerical Analysis · Mathematics 2022-01-10 Yabin Zhang , Adrianna Gillman , Shravan Veerapaneni

We consider piecewise polynomial discontinuous Galerkin discretizations of boundary integral reformulations of the heat equation. The resulting linear systems are dense and block-lower triangular and hence can be solved by block forward…

Numerical Analysis · Mathematics 2024-08-09 Sivaram Ambikasaran , Ritesh Khan , Johannes Tausch , Sihao Wang

In this paper, we introduce a fast Fourier-Galerkin method for solving boundary integral equations on torus-shaped surfaces, which are diffeomorphic to a torus. We analyze the properties of the integral operator's kernel to derive the decay…

Numerical Analysis · Mathematics 2024-10-10 Yiying Fang , Ying Jiang , Jiafeng Su

Computer aided engineering of multi-time-scale plasma systems which exhibit a quasi-steady state solution are challenging due to the large number of time steps required to reach convergence. Machine learning techniques combined with…

Plasma Physics · Physics 2025-10-03 Andrew T. Powis , Domenica Corona Rivera , Alexander Khrabry , Igor D. Kaganovich

Full-f global gyrokinetic simulations of the plasma boundary have until now required heroic computational efforts and case-by-case expert intervention, precluding systematic parameter scans. Here we demonstrate a paradigm shift: hundreds of…

Plasma Physics · Physics 2026-05-18 A. C. D. Hoffmann , M. Francisquez , T. N. Bernard , G. W. Hammett , A. Hakim

We describe novel subgradient methods for a broad class of matrix optimization problems involving nuclear norm regularization. Unlike existing approaches, our method executes very cheap iterations by combining low-rank stochastic…

Machine Learning · Computer Science 2012-07-03 Haim Avron , Satyen Kale , Shiva Kasiviswanathan , Vikas Sindhwani

Gyrokinetic simulations are essential for understanding and controlling turbulence in fusion plasmas, yet they are oftentimes implemented in legacy codebases, in many cases CPU-bound. These are both hard to maintain and especially…

Plasma Physics · Physics 2026-04-08 Gianluca Galletti , Eric Volkmann , Johannes Brandstetter

We present a higher-order boundary condition for atomistic simulations of dislocations that address the slow convergence of standard supercell methods. The method is based on a multipole expansion of the equilibrium displacement, combining…

Numerical Analysis · Mathematics 2025-10-07 Xinyi Wei , Julian Braun , Yangshuai Wang , Lei Zhang

The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic…

Plasma Physics · Physics 2021-06-14 Alexander Engel , Graeme Smith , Scott E. Parker

We consider the identification of spatially distributed parameters under $H^1$ regularization. Solving the associated minimization problem by Gauss-Newton iteration results in linearized problems to be solved in each step that can be cast…

Numerical Analysis · Mathematics 2023-08-23 Jan Blechta , Oliver G. Ernst

Hierarchical matrices provide a highly memory-efficient way of storing dense linear operators arising, for example, from boundary element methods, particularly when stored in the H^2 format. In such data-sparse representations, iterative…

Numerical Analysis · Mathematics 2025-09-23 Sven Christophersen

Multigrid methods are asymptotically optimal algorithms ideal for large-scale simulations. But, they require making numerous algorithmic choices that significantly influence their efficiency. Unlike recent approaches that learn optimal…

Computational Engineering, Finance, and Science · Computer Science 2024-12-12 Dinesh Parthasarathy , Tommaso Bevilacqua , Martin Lanser , Axel Klawonn , Harald Köstler

We present an enhanced version of the row-based randomized block-Kaczmarz method to solve a linear system of equations. This improvement makes use of a regularization during block updates in the solution, and a dynamic proposal distribution…

Numerical Analysis · Mathematics 2025-10-03 Suvendu Kar , Murugesan Venkatapathi

State-specific thermochemical collisional models are crucial to accurately describe the physics of systems involving nonequilibrium plasmas, but they are also computationally expensive and impractical for large-scale, multi-dimensional…

Computational Physics · Physics 2025-04-14 Ivan Zanardi , Alberto Padovan , Daniel J. Bodony , Marco Panesi

Spherical tokamaks (STs) have many desirable features that make them a suitable choice for fusion power plants. To understand their confinement properties, accurate calculation of turbulent micro-instabilities is necessary for tokamak…

The analysis of turbulence in plasmas is fundamental in fusion research. Despite extensive progress in theoretical modeling in the past 15 years, we still lack a complete and consistent understanding of turbulence in magnetic confinement…

Simulating gas flow within the divertor, which is a crucial component in nuclear fusion reactors, is essential for assessing and enhancing its design and performance. Traditional methods, such as the direct simulation Monte Carlo and the…

Plasma Physics · Physics 2024-09-11 Wei Li , Yanbing Zhang , Jianan Zeng , Lei Wu
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