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Quantitative theory of interbilayer interactions is essential to interpret x-ray scattering data and to elucidate these interactions for biologically relevant systems. For this purpose Monte Carlo simulations have been performed to obtain…

Biological Physics · Physics 2009-10-31 Nikolai Gouliaev , John F. Nagle

This paper focuses on the parallel implementation of a direct $N$-body method~(particle-particle algorithm) and the application of multiple GPUs for galactic dynamics simulations. Application of a hybrid OpenMP-CUDA technology is considered…

Computational Physics · Physics 2018-03-06 S. S. Khrapov , S. A. Khoperskov , A. V. Khoperskov

It is well known that, using fast algorithms for polynomial multiplication and division, evaluation of a polynomial $F \in \mathbb{C}[x]$ of degree $n$ at $n$ complex-valued points can be done with $\tilde{O}(n)$ exact field operations in…

Numerical Analysis · Computer Science 2016-05-30 Alexander Kobel , Michael Sagraloff

Point multipole expansions are widely used to gain physical insight into complex distributions of charges and to reduce the cost of computing interactions between such distributions. However, practical applications that typically retain…

Classical Physics · Physics 2015-06-03 Charles Baker , Ramu Anandakrishnan , Alexey Onufriev

A common problem in cosmology is to integrate the product of two or more spherical Bessel functions (sBFs) with different configuration-space arguments against the power spectrum or its square, weighted by powers of wavenumber. Naively…

Cosmology and Nongalactic Astrophysics · Physics 2019-12-03 Zachary Slepian , Yin Li , Marcel Schmittfull , Zvonimir Vlah

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Computational Physics · Physics 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

We introduce jaxFMM, an open-source, adaptive, highly parallel point-charge Fast Multipole Method implementation for the Laplace kernel written in JAX. It is based on a non-uniform refinement strategy, which results in extremely concise and…

Computational Physics · Physics 2025-11-20 Robert Kraft , Florian Bruckner , Dieter Suess , Claas Abert

We present FlowPM, a Particle-Mesh (PM) cosmological N-body code implemented in Mesh-TensorFlow for GPU-accelerated, distributed, and differentiable simulations. We implement and validate the accuracy of a novel multi-grid scheme based on…

Cosmology and Nongalactic Astrophysics · Physics 2020-10-23 Chirag Modi , Francois Lanusse , Uros Seljak

We present an efficient method to perform overdamped Brownian dynamics simulations in external force fields and for particle interactions that include a hardcore part. The method applies to particle motion in one dimension, where it is…

Statistical Mechanics · Physics 2026-02-23 Alexander P. Antonov , Sören Schweers , Artem Ryabov , Philipp Maass

Modern machine learning force fields (ML-FF) are able to yield energy and force predictions at the accuracy of high-level $ab~initio$ methods, but at a much lower computational cost. On the other hand, classical molecular mechanics force…

The accurate and efficient evaluation of potentials is of great importance for the numerical solution of partial differential equations. When the integration domain of the potential is irregular and is discretized by an unstructured mesh,…

Numerical Analysis · Mathematics 2022-06-20 Zewen Shen , Kirill Serkh

Aims: we propose a gravitational potential method (GPM) as a supercluster finder based on the analysis of the local gravitational potential distribution measured by fast and simple algorithm applied to a spatial distribution of mass…

Cosmology and Nongalactic Astrophysics · Physics 2013-07-16 Giovanni C. Baiesi Pillastrini

The cylindrical Taylor Interpolation through FFT (TI-FFT) algorithm for computation of the near-field and far-field in the quasi-cylindrical geometry has been introduced. The modal expansion coefficient of the vector potentials ${\bf F}$…

Signal Processing · Electrical Eng. & Systems 2020-07-06 Shaolin Liao

In the long-time pursuit of the solution to calculate the partition function (or free energy) of condensed matter, Monte-Carlo-based nested sampling should be the state-of-the-art method, and very recently, we established a direct integral…

Statistical Mechanics · Physics 2020-01-08 Le-Cheng Gong , Bo-Yuan Ning , Tsu-Chien Weng , Xi-Jing Ning

The most difficult aspect of the realistic modeling of granular materials is how to capture the real shape of the particles. Here we present a method to simulate granular materials with complex-shaped particles. The particle shape is…

Materials Science · Physics 2008-04-18 F. Alonso-Marroquin , Yucang Wang

The tree code for the approximate evaluation of gravitational forces is extended and substantially accelerated by including mutual cell-cell interactions. These are computed by a Taylor series in Cartesian coordinates and in a completely…

Astrophysics · Physics 2009-10-31 Walter Dehnen

Accurately handling contact with friction remains a core bottleneck for Material Point Method (MPM), from reliable contact point detection to enforcing frictional contact laws (non-penetration, Coulomb friction, and maximum dissipation…

Robotics · Computer Science 2026-02-03 Etienne Ménager , Justin Carpentier

We give analytic expressions for the gravitational inner spherical multipole moments, q_{lm} with l <= 5, for 11 elementary solid shapes. These moments, in conjunction with their known rotational and translational properties, can be used to…

General Relativity and Quantum Cosmology · Physics 2010-11-05 E. G. Adelberger , Nathan A. Collins , C. D. Hoyle

We introduce our new binary tree code for neighbour search and gravitational force calculations in an N-particle system. The tree is built in a "top-down" fashion by "recursive coordinate bisection" where on each tree level we split the…

Instrumentation and Methods for Astrophysics · Physics 2011-11-24 Emanuel Gafton , Stephan Rosswog

We review the recent optimizations of gravitational $N$-body kernels for running them on graphics processing units (GPUs), on single hosts and massive parallel platforms. For each of the two main $N$-body techniques, direct summation and…

Instrumentation and Methods for Astrophysics · Physics 2014-09-22 Simon Portegies Zwart , Jeroen Bédorf