Related papers: SimOS: A Python Framework for Simulations of Optic…
In this paper, we present pomdp_py, a general purpose Partially Observable Markov Decision Process (POMDP) library written in Python and Cython. Existing POMDP libraries often hinder accessibility and efficient prototyping due to the…
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…
relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…
Multiscale magnetic simulations, including micromagnetic and atomistic spin dynamics simulations, are widely used in the study of complex magnetic systems over a wide range of spatial and temporal scales. The advances in these simulation…
A theoretical spin-based scheme for performing a variety of quantum computations is presented. It makes use of an array of multiple identical computer vectors of phosphorus-doped silicon where the nuclei serve as logical qubits and the…
Many interesting phenomena are characterized by the complex interaction of different physical processes, each often best modeled numerically via a specific approach. In this paper, we present the design and implementation of an…
Magnetron sputtering is an essential technique in combinatorial materials science, enabling the efficient synthesis of thin-film materials libraries with continuous compositional gradients. For exploring multidimensional search spaces,…
This article presents an innovative open-source software named ModelFLOWs-app, written in Python, which has been created and tested to generate precise and robust hybrid reduced order models (ROMs) fully data-driven. By integrating modal…
multisphere is an open-source Python package for generating multi-sphere representations of complex particles for use in DEM simulations. It reconstructs triangulated surface meshes and voxelized volumes as sets of intersecting spheres and…
An obstacle for spin-based quantum sensors is magnetic noise due to proximal spins. However, such a spin cluster surrounding the sensor can become an asset, if it can be controlled. Here, we polarize and readout a cluster of three nitrogen…
Structurally and chemically complex materials such as amorphous metallosilicates underpin major catalytic and separation technologies, yet their intrinsic complexity challenges reliable atomistic modeling under realistic conditions.…
Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical…
We present WOFRY (Wave Optics FRamework in pYthon), a specialized toolbox designed for wave optics modeling, with particular emphasis on partial coherence. This package is tailored to assist synchrotron scientists and engineers in the…
The ability to control and manipulate spins via electrical, magnetic and optical means has generated numerous applications in metrology and quantum information science in recent years. A promising alternative method for spin manipulation is…
We introduce an adaptable and modular hybrid architecture designed for fault-tolerant quantum computing. It combines quantum emitters and linear-optical entangling gates to leverage the strength of both matter-based and photonic-based…
Micron scale imaging of magnetic fields is an important tool for understanding the evolution of magnetism through phase transitions and as a result of interactions inside of heterostructures. However, most imaging platforms, like the…
The application of magnetic resonance (MR) spectroscopy at progressively smaller length scales may eventually permit "chemical imaging" of spins at the surfaces of materials and biological complexes. In particular, the negatively charged…
We present the first public release (v0.1) of the open-source GADGET Dataframe Library: gadfly. The aim of this package is to leverage the capabilities of the broader python scientific computing ecosystem by providing tools for analyzing…
Solid state spins in diamond, in particular negatively charged nitrogen-vacancy centers (NV), are leading contenders in the field of quantum sensing. While addressing of single NVs offers nanoscale spatial resolution, many implementations…
Frouros is an open-source Python library capable of detecting drift in machine learning systems. It provides a combination of classical and more recent algorithms for drift detection: both concept and data drift. We have designed it with…