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The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the discovery of novel compounds. To enable these developments,…

Materials Science · Physics 2026-04-30 Holger-Dietrich Saßnick , Joshua Edzards , Timo Reents , Caterina Cocchi

Sparse Identification of Nonlinear Dynamics (SINDy) has become a standard methodology for inferring governing equations of dynamical systems from observed data using statistical modeling. However, classical SINDy approaches rely on…

Methodology · Statistics 2025-07-24 Aliaksandr Hubin

AsaPy is a custom-made Python library designed to simplify and optimize the analysis of aerospace simulation data. Instead of introducing new methodologies, it excels in combining various established techniques, creating a unified,…

We introduce the \texttt{pyunicorn} (Pythonic unified complex network and recurrence analysis toolbox) open source software package for applying and combining modern methods of data analysis and modeling from complex network theory and…

We introduce MoULDyS, that implements efficient offline and online monitoring algorithms of black-box cyber-physical systems w.r.t. safety properties. MoULDyS takes as input an uncertain log (with noisy and missing samples), as well as a…

Systems and Control · Electrical Eng. & Systems 2024-07-25 Bineet Ghosh , Étienne André

The Hamiltonian dynamics of chains of nonlinearly coupled particles is numerically investigated in two and three dimensions. Simple, off-lattice homopolymer models are used to represent the interparticle potentials. Time averages of…

Statistical Mechanics · Physics 2007-05-23 Alessandro Mossa , Marco Pettini , Cecilia Clementi

This paper introduces the practicalities and benefits of using SimPy, a discrete event simulation (DES) module written in Python, for modeling and simulating complex systems. Through a step-by-step exploration of the classical Dining…

Mathematical Software · Computer Science 2024-05-06 Dmitry Zinoviev

We introduce a Python framework designed to automate the most common tasks associated with the extraction and upscaling of the statistics of single-impact crater functions to inform coefficients of continuum equations describing surface…

Computational Physics · Physics 2014-10-31 Scott A. Norris

We present the open-source image processing software package PySAP (Python Sparse data Analysis Package) developed for the COmpressed Sensing for Magnetic resonance Imaging and Cosmology (COSMIC) project. This package provides a set of…

Instrumentation and Methods for Astrophysics · Physics 2020-07-03 S. Farrens , A. Grigis , L. El Gueddari , Z. Ramzi , Chaithya G. R. , S. Starck , B. Sarthou , H. Cherkaoui , P. Ciuciu , J. -L. Starck

The Hofstadter model successfully describes the behavior of non-interacting quantum particles hopping on a lattice coupled to a gauge field, and hence is ubiquitous in many fields of research, including condensed matter, optical, and atomic…

Mesoscale and Nanoscale Physics · Physics 2024-03-28 Bartholomew Andrews

Time series data are fundamental for a variety of applications, ranging from financial markets to energy systems. Due to their importance, the number and complexity of tools and methods used for time series analysis is constantly…

Backstepping Control of Linear and Nonlinear Systems (BaCLNS) is a Python package developed to automate the design, simulation, and analysis of backstepping control laws for both linear and nonlinear control-affine systems. By providing a…

Systems and Control · Electrical Eng. & Systems 2024-09-17 Samuel O. Folorunsho , William R. Norris

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

Machine Learning · Computer Science 2025-03-13 Abdolvahhab Rostamijavanani , Shanwu Li , Yongchao Yang

Numerical relativity simulations are crucial for studying black holes and have been instrumental in the detection of gravitational waves by the LVK. However, these simulations produce vast amounts of data that must be processed in order to…

Many dynamical systems of interest are nonlinear, with examples in turbulence, epidemiology, neuroscience, and finance, making them difficult to control using linear approaches. Model predictive control (MPC) is a powerful model-based…

Optimization and Control · Mathematics 2021-08-31 Urban Fasel , Eurika Kaiser , J. Nathan Kutz , Bingni W. Brunton , Steven L. Brunton

In non-linear systems, where explicit analytic solutions usually can't be found, visualisation is a powerful approach which can give insights into the dynamical behaviour of models; it is also crucial for teaching this area of mathematics.…

Mathematical Software · Computer Science 2016-01-20 Robert Merrison-Hort

System identification involves constructing mathematical models of dynamic systems using input-output data, enabling analysis and prediction of system behaviour in both time and frequency domains. This approach can model the entire system…

Systems and Control · Electrical Eng. & Systems 2024-11-26 Rajintha Gunawardena , Zi-Qiang Lang , Fei He

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…

Soft Condensed Matter · Physics 2024-08-07 Adithya N Sreenivasan , C. Levi Petix , Zachary M. Sherman , Michael P. Howard

rigidPy is a Python package that provides a set of tools necessary for studying rigidity and mechanical response in spring networks. It also includes suitable modules for generating new realizations of networks with applications in glassy…

Soft Condensed Matter · Physics 2022-03-02 Varda F. Hagh , Mahdi Sadjadi

This paper presents a lightweight, open-source and high-performance python package for solving peridynamics problems in solid mechanics. The development of this solver is motivated by the need for fast analysis tools to achieve the large…

Software Engineering · Computer Science 2021-09-15 B. Boys , T. J. Dodwell , M. Hobbs , M. Girolami
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