相关论文: pyGDM -- A python toolkit for full-field electro-d…

magnum.np is a micromagnetic finite-difference library completely based on the tensor library PyTorch. The use of such a high level library leads to a highly maintainable and extensible code base which is the ideal candidate for the…

Path Integral Molecular Dynamics (PIMD) is a well established simulation technique to compute exact equilibrium properties for a quantum system using classical trajectories in an extended phase space. Standard PIMD simulations are…

With the recent rapid progress in the study of deep generative models (DGMs), there is a need for a framework that can implement them in a simple and generic way. In this research, we focus on two features of DGMs: (1) deep neural networks…

Solving partial differential equations (PDEs) on complex domains can present significant computational challenges. The Diffuse Domain Method (DDM) is an alternative that reformulates the partial differential equations on a larger, simpler…

Subatomic particle track reconstruction (tracking) is a vital task in High-Energy Physics experiments. Tracking is exceptionally computationally challenging and fielded solutions, relying on traditional algorithms, do not scale linearly.…

We present the AGATE simulation code, a Python-based framework developed primarily for solving the magnetohydrodynamics (MHD) equations while maintaining adaptability to other equation sets. The code employs a modular, object-oriented…

GPTIPS is a free, open source MATLAB based software platform for symbolic data mining (SDM). It uses a multigene variant of the biologically inspired machine learning method of genetic programming (MGGP) as the engine that drives the…

*The gradient discretisation method (GDM) is a generic framework, covering many classical methods (Finite Elements, Finite Volumes, Discontinuous Galerkin, etc.), for designing and analysing numerical schemes for diffusion models. In this…

The simulation and parameter optimization of coupled ocean circulation and ecosystem models in three space dimensions is one of the most challenging tasks in numerical climate research. Here we present a scientific toolkit that aims at…

The molecular simulations solve the equation of motion of molecular systems, making 3D shapes of molecules four-dimensional by adding the time coordinate. These methods have a great potential in drug discovery because they can realistically…

Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy advanced with new detector technologies and integration of…

Three-dimensional topology optimization (TO) is a powerful technique in engineering design, but readily usable, open-source implementations remain limited within the popular Python scientific environment. This paper introduces PyTopo3D, a…

We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework allows users to construct, manipulate, and evolve multipartite quantum systems that consist of spins and electronic…

We present a Fourier finite element modeling of light emission of dipolar emitters coupled to infinitely long waveguides. Due to the translational symmetry, the three-dimensional (3D) coupled waveguide-emitter system can be decomposed into…

The $\textit{invrs-gym}$ is a toolkit for research in nanophotonic inverse design, topology optimization, and AI-guided design. It includes a diverse set of challenges--representing a wide range of photonic design problems--with a common…

True Digital Orthophoto Map (TDOM), a 2D objective representation of the Earth's surface, is an essential geospatial product widely used in urban management, city planning, land surveying, and related applications. However, traditional TDOM…

Numerical simulations have become an essential design tool in the field of photonics, especially for nanophotonics. In particular, 3D finite-difference-time-domain (FDTD) simulations are popular for their powerful design capabilities.…

We present a fast and user friendly exoplanet transit light curve modelling package PyTransit, implementing optimised versions of the Gimen\'ez and the Mandel & Agol transit models. The package offers an object-oriented Python interface to…

Mathematical programming is widely employed across various sectors - such as logistics, energy, and workforce planning - to model and solve industrial optimisation problems, but its use requires substantial domain expertise. Large language…

Nanotechnology research requires the routine use of characterization methods with high spatial resolution. These experiments are rather costly, not only from the point of view of the expensive microscopes, but also considering the need of a…