Related papers: Particle-based and Meshless Methods with Aboria
This paper introduces PolyDiM, an open-source C++ library tailored for the development and implementation of polytopal discretization methods for partial differential equations. The library provides robust and modular tools to support…
Searching for geometric objects that are close in space is a fundamental component of many applications. The performance of search algorithms comes to the forefront as the size of a problem increases both in terms of total object count as…
This paper provides the description of a novel, multi-purpose spline library. In accordance with the increasingly diverse modes of usage of splines, it is multi-purpose in the sense that it supports geometry representation, finite element…
We discuss a unified approach to stochastic optimization of pseudo-Boolean objective functions based on particle methods, including the cross-entropy method and simulated annealing as special cases. We point out the need for auxiliary…
A major challenge in the deployment of scientific software solutions is the adaptation of research prototypes to production-grade code. While high-level languages like MATLAB are useful for rapid prototyping, they lack the resource…
A novel electromagnetic particle-in-cell algorithm has been developed for fully kinetic plasma simulations on unstructured (irregular) meshes in complex body-of-revolution geometries. The algorithm, implemented in the BORPIC++ code,…
Abstraction layers are of paramount importance in software architecture, as they shield the higher-level formulation of payload computations from lower-level details. Since quantum computing (QC) introduces many such details that are often…
Ordinary differential equation models facilitate the understanding of cellular signal transduction and other biological processes. However, for large and comprehensive models, the computational cost of simulating or calibrating can be…
We propose a special-purpose class of compression algorithms for efficient compression of Prolog programs. It is a dictionary-based compression method, specially designed for the compression of Prolog code, and therefore we name it PCA…
Particle-in-cell methods couple mesh-based methods for the solution of continuum mechanics problems, with the ability to advect and evolve particles. They have a long history and many applications in scientific computing. However, they have…
HPC systems employ a growing variety of compute accelerators with different architectures and from different vendors. Large scientific applications are required to run efficiently across these systems but need to retain a single code-base…
A new algorithm for calculating intermolecular pair forces in Molecular Dynamics (MD) simulations on a distributed parallel computer is presented. The Arbitrary Interacting Cells Algorithm (AICA) is designed to operate on geometrical…
This library (collection of subroutines) is presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. These quantities include the coefficients of fractional parentage,…
We present a generalized framework for cellular/lattice based visualizations in two dimensions based on state of the art computing abstractions. Our implementation takes the form of a library of reusable functions written in C++ which hides…
Magrathea is an open-source C++ code for modeling the internal structure of differentiated planets. The initial release, Huang et al. (2022), introduced the base solver, a modular framework for defining equations of state (EOSs) used within…
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery)…
VORO++ is a software library written in C++ for computing the Voronoi tessellation, a technique in computational geometry that is widely used for analyzing systems of particles. VORO++ was released in 2009 and is based on computing the…
Performance models can be very useful for understanding the behavior of applications and hence can help guide design and optimization decisions. Unfortunately, performance modeling of nontrivial computations typically requires significant…
We report on our experiences exploring state of the art Groebner basis computation. We investigate signature based algorithms in detail. We also introduce new practical data structures and computational techniques for use in both signature…
Applied research in graph algorithms and combinatorial structures needs comprehensive and versatile software libraries. However, the design and the implementation of flexible libraries are challenging activities. Among the other problems…