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The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…

Chemical Physics · Physics 2016-08-24 Markus Kowalewski , Elisabeth Larsson , Alfa Heryudono

We present a differentiable volume rendering solution that provides differentiability of all continuous parameters of the volume rendering process. This differentiable renderer is used to steer the parameters towards a setting with an…

Graphics · Computer Science 2022-07-26 Sebastian Weiss , Rüdiger Westermann

The simulation of problems in kinetic plasma physics are often challenging due to strongly coupled phenomena across multiple scales. In this work, we propose a wavelet-based coarse-grained numerical scheme, based on the framework of…

Computational Physics · Physics 2016-10-05 Paul Cazeaux , Jan S. Hesthaven

We consider a randomised implementation of the finite element method (FEM) for elliptic partial differential equations on high-dimensional models. This is motivated by applications where model predictions are essential for real-time process…

Numerical Analysis · Mathematics 2019-07-30 Yue Wu , Dimitris Kamilis , Nick Polydorides

We consider a sketched implementation of the finite element method for elliptic partial differential equations on high-dimensional models. Motivated by applications in real-time simulation and prediction we propose an algorithm that…

Numerical Analysis · Mathematics 2020-04-22 Robert Lung , Yue Wu , Dimitris Kamilis , Nick Polydorides

Particle-based shape modeling (PSM) is a family of approaches that automatically quantifies shape variability across anatomical cohorts by positioning particles (pseudo landmarks) on shape surfaces in a consistent configuration. Recent…

Computer Vision and Pattern Recognition · Computer Science 2025-07-11 Hong Xu , Shireen Y. Elhabian

We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows one to treat the system at the particle level in selected regions of space, and at the continuum level elsewhere. It is derived…

Soft Condensed Matter · Physics 2015-06-17 Shuanhu Qi , Hans Behringer , Friederike Schmid

The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…

High Energy Physics - Experiment · Physics 2024-07-16 Francesco Vaselli , Filippo Cattafesta , Patrick Asenov , Andrea Rizzi

This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…

Fluid Dynamics · Physics 2024-03-21 J. E. Marquardt , N. Hafen , M. J. Krause

Particle filters are computational techniques for estimating the state of dynamical systems by integrating observational data with model predictions. This work introduces a class of Localized Particle Filters (LPFs) that exploit spatial…

Applications · Statistics 2025-07-10 Dan Crisan , Eliana Fausti

Metastability is a common obstacle to performing long molecular dynamics simulations. Many numerical methods have been proposed to overcome it. One method is parallel replica dynamics, which relies on the rapid convergence of the underlying…

Numerical Analysis · Mathematics 2015-05-20 Andrew Binder , Tony Lelièvre , Gideon Simpson

To reduce cost in storing, processing and visualizing a large-scale point cloud, we consider a randomized resampling strategy to select a representative subset of points while preserving application-dependent features. The proposed strategy…

Computer Vision and Pattern Recognition · Computer Science 2018-02-14 Siheng Chen , Dong Tian , Chen Feng , Anthony Vetro , Jelena Kovačević

We present a load balancing strategy for hybrid particle-mesh methods that is based on domain decomposition and element-local time measurement. This new strategy is compared to our previous approach, which assumes a constant weighting…

Computational Physics · Physics 2018-11-14 P. Ortwein , T. Binder , S. Copplestone , A. Mirza , P. Nizenkov , M. Pfeiffer , C. -D. Munz , S. Fasoulas

Constructing reduced representations of high-dimensional systems is a fundamental problem in physical chemistry. Many unsupervised machine learning methods can automatically find such low-dimensional representations. However, an often…

Chemical Physics · Physics 2024-04-04 Jakub Rydzewski

Characterizing the phase space distribution of particle beams in accelerators is a central part of accelerator understanding and performance optimization. However, conventional reconstruction-based techniques either use simplifying…

At the core of some of the most important problems in plasma physics -- from controlled nuclear fusion to the acceleration of cosmic rays -- is the challenge to describe nonlinear, multi-scale plasma dynamics. The development of reduced…

Plasma Physics · Physics 2022-09-13 E. Paulo Alves , Frederico Fiuza

Obtaining high-quality particle distributions for stable and accurate particle-based simulations poses significant challenges, especially for complex geometries. We introduce a preprocessing technique for 2D and 3D geometries, optimized for…

We propose and analyze a class of particle methods for the Vlasov equation with a strong external magnetic field in a torus configuration. In this regime, the time step can be subject to stability constraints related to the smallness of…

Numerical Analysis · Mathematics 2023-05-16 Francis Filbet , Luis Miguel Miguel Rodrigues

Maxwell-Amp\`{e}re-Nernst-Planck (MANP) equations were recently proposed to model the dynamics of charged particles. In this study, we enhance a numerical algorithm of this system with deep learning tools. The proposed hybrid algorithm…

Numerical Analysis · Mathematics 2023-12-12 Cheng Chang , Zhouping Xin , Tieyong Zeng

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
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