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QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates…
Physics-informed neural networks (PINNs) have gained prominence for their capability to tackle supervised learning tasks that conform to physical laws, notably nonlinear partial differential equations (PDEs). This paper presents…
The design and analysis of systems that combine computational behaviour with physical processes' continuous dynamics - such as movement, velocity, and voltage - is a famous, challenging task. Several theoretical results from programming…
Simulation is a foundational tool for the analysis and testing of cyber-physical systems (CPS), underpinning activities such as algorithm development, runtime monitoring, and system verification. As CPS grow in complexity and scale,…
Physics Engines (PEs) are fundamental software frameworks that simulate physical interactions in applications ranging from entertainment to safety-critical systems. Despite their importance, PEs suffer from physics failures, deviations from…
We introduce MOSAIC, a Python program for machine learning models. Our framework is developed with in mind accelerating machine learning studies through making implementing and testing arbitrary network architectures and data sets simpler,…
Predictive systems, in particular machine learning algorithms, can take important, and sometimes legally binding, decisions about our everyday life. In most cases, however, these systems and decisions are neither regulated nor certified.…
The numerical simulation of the diffusion MRI signal arising from complex tissue micro-structures is helpful for understanding and interpreting imaging data as well as for designing and optimizing MRI sequences. The discretization of the…
Simflowny is an open platform which automatically generates efficient parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support simultaneously a quite…
Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due…
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…
ParticLS (\emph{Partic}le \emph{L}evel \emph{S}ets) is a software library that implements the discrete element method (DEM) and meshfree methods. ParticLS tracks the interaction between individual particles whose geometries are defined by…
This paper presents Deepchecks, a Python library for comprehensively validating machine learning models and data. Our goal is to provide an easy-to-use library comprising of many checks related to various types of issues, such as model…
The program FeynRules is a Mathematica package developed to facilitate the implementation of new physics theories into high-energy physics tools. Starting from a minimal set of information such as the model gauge symmetries, its particle…
SfePy (Simple Finite Elements in Python) is a framework for solving various kinds of problems (mechanics, physics, biology, ...) described by partial differential equations in two or three space dimensions by the finite element method. The…
Fractional calculus has become widely studied and applied to physical problems in recent years. As a result, many methods for the numerical computation of fractional derivatives and integrals have been defined. However, these algorithms are…
The efficient extraction of force constants (FCs) is crucial for the analysis of many thermodynamic materials properties. Approaches based on the systematic enumeration of finite differences scale poorly with system size and can rarely…
FeynRules is a Mathematica-based package which addresses the implementation of particle physics models, which are given in the form of a list of fields, parameters and a Lagrangian, into high-energy physics tools. It calculates the…
Generation and analysis of time-series data is relevant to many quantitative fields ranging from economics to fluid mechanics. In the physical sciences, structures such as metastable and coherent sets, slow relaxation processes, collective…
We introduce the software toolbox HAZniCS for solving interface-coupled multiphysics problems. HAZniCS is a suite of modules that combines the well-known FEniCS framework for finite element discretization with solver and graph library…