相关论文: MicroMagnetic.jl: A Julia package for micromagneti…

This article describes the Wave Kinetic Solver \WavKinSns, a software developed in the Julia language for solving different types of wave kinetic equations in an efficient and modular manner. \WavKinS already solves the wave kinetic…

A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…

Sunny is a Julia package designed to serve the needs of the quantum magnetism community. It supports the specification of a very broad class of spin models and a diverse suite of numerical solvers. These include powerful methods for…

We review design and development decisions and their impact for the open source code Nmag from a software engineering in computational science point of view. We summarise lessons learned and recommendations for future computational science…

As GPU-accelerated mathematical programming techniques mature, there is growing interest in utilizing them to address the computational challenges of power system optimization. This paper introduces ExaModelsPower.jl, an open-source…

Marginal effects analysis is fundamental to interpreting statistical models, yet existing implementations face computational constraints that limit analysis at scale. We introduce two Julia packages that address this gap. Margins.jl…

We introduce JuliVQC: a light-weight, yet extremely efficient variational quantum circuit simulator. JuliVQC is part of an effort for classical simulation of the \textit{Zuchongzhi} quantum processors, where it is extensively used to…

We have developed a graphical user interface (GUI) based package $\mu$2mech to perform phase-field simulation for predicting microstructure evolution. The package can take inputs from ab initio calculations and CALPHAD (Calculation of Phase…

As astronomical data grows in volume and complexity, the scalability of analysis software becomes increasingly important. At the same time, astrophysics analysis software relies heavily on open-source contributions, so languages and tools…

In this paper we announce the public release of a massively-parallel, GPU-accelerated software, which is the first to combine both coarse-grained molecular dynamics and field-theoretical simulations in one simulation package. MATILDA.FT…

MiMiC is a flexible and efficient framework for multiscale simulations in which different subsystems are treated by individual client programs. In this work, we present a new interface with OpenMM to be used as an MM client program and we…

We present an open-source Julia-based software toolkit for solving the phase problem using dual-space iterative algorithms. The toolkit is specifically designed for aperiodic crystals and quasicrystals, supporting general space group…

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…

We have developed a finite-element micromagnetic simulation code based on the FEniCS package called magnum.fe. Here we describe the numerical methods that are applied as well as their implementation with FEniCS. We apply a transformation…

A finite-difference Micromagnetic solver is presented utilizing the C++ Accelerated Massive Parallelism (C++ AMP). The high speed performance of a single Graphics Processing Unit (GPU) is demonstrated compared to a typical CPU-based solver.…

This article proposes an open-source implementation of a phase-field model for brittle fracture using a recently developed finite element toolbox, Gridap in Julia. The present work exploits the advantages of both the phase-field model and…

Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…

We present an open-source software package, Vegas, for the atomistic simulation of magnetic materials. Using the classical Heisenberg model and the Monte Carlo Metropolis algorithm, Vegas provides the required tools to simulate and analyze…

Co-developing scientific algorithms and hardware accelerators requires domain-specific knowledge and large engineering resources. This leads to a slow development pace and high project complexity, which creates a barrier to entry that is…

We present the preliminary high-level design and features of DynamicPPL.jl, a modular library providing a lightning-fast infrastructure for probabilistic programming. Besides a computational performance that is often close to or better than…