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Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…

We present a modification to the Berger and Oliger adaptive mesh refinement algorithm designed to solve systems of coupled, non-linear, hyperbolic and elliptic partial differential equations. Such systems typically arise during constrained…

General Relativity and Quantum Cosmology · Physics 2009-11-11 Frans Pretorius , Matthew W. Choptuik

-Molecular simulations allow the study of properties and interactions of molecular systems. This article presents an improved version of the Adaptive Resolution Scheme that links two systems having atomistic (also called fine-grained) and…

Computational Engineering, Finance, and Science · Computer Science 2017-08-01 Iuliana Marin , Virgil Tudose , Anton Hadar , Nicolae Goga , Andrei Doncescu

An implementation of adaptive mesh refinement algorithms is presented for use with multilayer shallow water equations. Currently, adaptive mesh refinement is implemented with a single layer shallow water model in the GeoClaw framework. This…

Numerical Analysis · Mathematics 2018-03-06 Avi Schwarzschild , Kyle T. Mandli

We present here the first systematic treatment of the problems posed by the visualization and analysis of large-scale, parallel adaptive mesh refinement (AMR) simulations on an Eulerian grid. When compared to those obtained by constructing…

Graphics · Computer Science 2017-02-17 Guénolé Harel , Jacques-Bernard Lekien , Philippe P. Pébaÿ

In this paper we present an adaptive discretization technique for solving elliptic partial differential equations via a collocation radial basis function partition of unity method. In particular, we propose a new adaptive scheme based on…

Numerical Analysis · Mathematics 2018-11-13 R. Cavoretto , A. De Rossi

We present a simple and efficient MATLAB implementation of the local refinement for polygonal meshes. The purpose of this implementation is primarily educational, especially on the teaching of adaptive virtual element methods.

Numerical Analysis · Mathematics 2021-01-12 Yue Yu

Poisson's equation plays an important role in modeling many physical systems. In electrostatic self-consistent low-temperature plasma (LTP) simulations, Poisson's equation is solved at each simulation time step, which can amount to a…

Computational Physics · Physics 2024-09-18 Ihda Chaerony Siffa , Markus M. Becker , Klaus-Dieter Weltmann , Jan Trieschmann

In this work we formally derive and prove the correctness of the algorithms and data structures in a parallel, distributed-memory, generic finite element framework that supports h-adaptivity on computational domains represented as…

Mathematical Software · Computer Science 2021-09-30 Santiago Badia , Alberto F. Martín , Eric Neiva , Francesc Verdugo

This paper presents a novel p-adaptive, high-order mesh-free framework for the accurate and efficient simulation of fluid flows in complex geometries. High-order differential operators are constructed locally for arbitrary node…

Numerical Analysis · Mathematics 2025-11-27 Ruofeng Feng , Jack R. C. King , Steven J. Lind

We present an easily accessible, object oriented code (written exclusively in Matlab) for adaptive finite element simulations in 2D. It features various refinement routines for triangular meshes as well as fully vectorized FEM ansatz spaces…

Numerical Analysis · Mathematics 2024-07-30 Michael Innerberger , Dirk Praetorius

We present a fast, direct and adaptive Poisson solver for complex two-dimensional geometries based on potential theory and fast multipole acceleration. More precisely, the solver relies on the standard decomposition of the solution as the…

Numerical Analysis · Mathematics 2017-05-24 Travis Askham , Antoine J Cerfon

In this work, we present an adaptive unfitted finite element scheme that combines the aggregated finite element method with parallel adaptive mesh refinement. We introduce a novel scalable distributed-memory implementation of the resulting…

Numerical Analysis · Mathematics 2021-09-30 Santiago Badia , Alberto F. Martín , Eric Neiva , Francesc Verdugo

The unfolding of molecular complexes or biomolecules under the influence of external mechanical forces can routinely be simulated with atomistic resolution. To obtain a match of the characteristic time scales with those of experimental…

Soft Condensed Matter · Physics 2024-07-17 Marco Oestereich , Jürgen Gauss , Gregor Diezemann

We describe a new electrostatic Particle-In-Cell (PIC) code in curvilinear geometry called Curvilinear PIC (CPIC). The code models the microscopic (kinetic) evolution of a plasma with the PIC method, coupled with an adaptive computational…

Recently proposed modifications of the standard particle-in-cell (PIC) method resolve long-standing limitations such as exact preservation of physically conserved quantities and unbiased ensemble down-sampling. Such advances pave the way…

Plasma Physics · Physics 2026-03-13 Frida Brogren , Christoffer Olofsson , Joel Magnusson , Arkady Gonoskov

Enhanced sampling and free energy calculation algorithms of the Thermodynamic Integration family (such as the Adaptive Biasing Force method, ABF) are not based on the direct computation of a free energy surface, but rather of its gradient.…

Computational Physics · Physics 2021-10-22 Jérôme Hénin

Numerical solvers using adaptive meshes can focus computational power on important regions of a model domain capturing important or unresolved physics. The adaptation can be informed by the model state, external information, or made to…

Applications · Statistics 2021-05-12 Christian Sampson , Alberto Carrassi , Ali Aydoğdu , Chris K. R. T Jones

A Maxwell solver derived from finite element method with \mathcal{O}(N) computing cost is developed to improve the numerical dispersion properties in relativistic particle-in-cell (PIC) simulations. The correction of the dispersion relation…

Plasma Physics · Physics 2019-08-06 Yingchao Lu , Chengkun Huang , Patrick Kilian , Fan Guo , Hui Li , Edison Liang

We propose a sparse grids based adaptive noise reduction strategy for electrostatic particle-in-cell (PIC) simulations. Our approach is based on the key idea of relying on sparse grids instead of a regular grid in order to increase the…

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