相关论文: MicroMagnetic.jl: A Julia package for micromagneti…
The rapid rise of scientific machine learning (SciML) has expanded the role of differentiable modeling, surrogate modeling, and data-driven constitutive laws in large-scale simulation. The JAX framework provides an attractive environment…
The Smoothed Finite Element Method (S-FEM) proposed by Liu G.R. can achieve more accurate results than the conventional FEM. Currently, much commercial software and many open-source packages have been developed to analyze various science…
Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…
Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical…
In simulations of (magnetized-)fluid dynamics in physics and astrophysics, the visualization techniques are so frequently applied to analyse data that they have become a fundamental part of the research. Data produced is often a…
Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…
There are plenty of excellent plotting libraries. Each excels at a different use case: one is good for printed 2D publication figures, the other at interactive 3D graphics, a third has excellent L A TEX integration or is good for creating…
Magnetohydrodynamic (MHD) simulations based on the ideal MHD equations have become a powerful tool for modeling phenomena in a wide range of applications including laboratory, astrophysical, and space plasmas. In general, high-resolution…
We introduce the third major version of Metatheory.jl, a Julia library for general-purpose metaprogramming and symbolic computation. Metatheory.jl provides a flexible and performant implementation of e-graphs and Equality Saturation (EqSat)…
Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In…
Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…
Micro-macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling may require tracking and evolving a high-dimensional…
In this paper we present GridapTopOpt, an extendable framework for level set-based topology optimisation that can be readily distributed across a personal computer or high-performance computing cluster. The package is written in Julia and…
Julia is a mature general-purpose programming language, with a large ecosystem of libraries and more than 12000 third-party packages, which specifically targets scientific computing. As a language, Julia is as dynamic, interactive, and…
Nowadays, micromagnetic simulations are a common tool for studying a wide range of different magnetic phenomena, including the ferromagnetic resonance. A technique for evaluating reliability and validity of different micromagnetic…
Simulating from the multivariate truncated normal distribution (MTN) is required in various statistical applications yet remains challenging in high dimensions. Currently available algorithms and their implementations often fail when the…
Quantum-accurate computer simulations play a central role in understanding phase-change materials (PCMs) for advanced memory technologies. However, direct quantum-mechanical simulations are necessarily limited to simplified models,…
N-body simulations and trajectory analysis rely on the calculation of attributes that depend on pairwise particle distances within a cutoff. Interparticle potential energies, forces, distribution functions, neighbor lists, and…
In molecular dynamics (MD), systems are molecules made up of atoms, and the aim is to determine their evolution over time. MD is based on a numerical resolution algorithm, whose role is to apply the forces generated by the various…
We introduce DiffOpt.jl, a Julia library to differentiate through the solution of optimization problems with respect to arbitrary parameters present in the objective and/or constraints. The library builds upon MathOptInterface, thus…