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Scientific workflows facilitate computational, data manipulation, and sometimes visualization steps for scientific data analysis. They are vital for reproducing and validating experiments, usually involving computational steps in scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-22 Jinli Duan , Shasha Dennis

Course-based Undergraduate Research Experiences (CUREs) bring the excitement of research into the classroom to improve learning and the sense of belonging in the field. They can reach more students, earlier in their studies, than typical…

Physics Education · Physics 2024-09-04 David A. Strubbe

The advent of increasingly large and complex datasets has fundamentally altered the way that scientists conduct astronomy research. The need to work closely to the data has motivated the creation of online science platforms, which include a…

Instrumentation and Methods for Astrophysics · Physics 2021-04-15 Stéphanie Juneau , Knut A. G. Olsen , Robert Nikutta , Alice Jacques , Stephen Bailey

MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations. Using the features of the Julia programming language, MicroMagnetic.jl supports CPU and various GPU platforms, including NVIDIA, AMD, Intel, and…

Mesoscale and Nanoscale Physics · Physics 2024-09-09 Weiwei Wang , Boyao Lyu , Lingyao Kong , Hans Fangohr , Haifeng Du

We present mumax+, an extensible GPU-accelerated micromagnetic simulator with a Python user interface, to address the challenges posed by current magnetism research into systems with complex magnetic ordering and interfaces. It is a general…

Inversions of airborne EM data are often an iterative process, not only requiring that the researcher be able to explore the impact of changing components such as the choice of regularization functional or model parameterization, but also…

Geophysics · Physics 2022-03-29 Lindsey J. Heagy , Seogi Kang , Rowan Cockett , Douglas Oldenburg

Jupyter notebooks are increasingly being adopted by teachers to deliver interactive practical sessions to their students. Notebooks come with many attractive features, such as the ability to combine textual explanations, multimedia content,…

Computers and Society · Computer Science 2023-09-29 Christophe Casseau , Jean-Rémy Falleri , Thomas Degueule , Xavier Blanc

In recent years, Jupyter notebooks have grown in popularity in several domains of software engineering, such as data science, machine learning, and computer science education. Their popularity has to do with their rich features for…

Software Engineering · Computer Science 2022-04-01 Konstantin Grotov , Sergey Titov , Vladimir Sotnikov , Yaroslav Golubev , Timofey Bryksin

We study the feasibility of a Data Science assistant powered by a sequence-to-sequence transformer by training a new model JuPyT5 on all publicly available Jupyter Notebook GitHub repositories and developing a new metric: Data Science…

Machine Learning · Computer Science 2022-02-01 Shubham Chandel , Colin B. Clement , Guillermo Serrato , Neel Sundaresan

This article addresses the logistics of implementing projects in an undergraduate mathematics class and is intended both for new instructors and for instructors who have had negative experiences implementing projects in the past. Project…

History and Overview · Mathematics 2017-01-06 R. Corban Harwood

Context: Jupyter Notebook has emerged as a versatile tool that transforms how researchers, developers, and data scientists conduct and communicate their work. As the adoption of Jupyter notebooks continues to rise, so does the interest from…

Software Engineering · Computer Science 2026-01-06 Md Saeed Siddik , Hao Li , Cor-Paul Bezemer

Numerov's numerical method is developed in a didactic way by using Python in its {\it Jupyter Notebook} version 6.0.3 for three different quantum physical systems: the hydrogen atom, a molecule governed by the Morse potential and for a…

Quantum Physics · Physics 2023-08-15 Francisco Caruso , Vitor Oguri , Felipe Silveira

Numerical simulations are playing an increasingly important role in modern science. In this work it is suggested to use a numerical study of the famous perihelion motion of the planet Mercury (one of the prime observables supporting…

Reproducibility of computational studies is a hallmark of scientific methodology. It enables researchers to build with confidence on the methods and findings of others, reuse and extend computational pipelines, and thereby drive scientific…

Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing…

Computational Physics · Physics 2015-12-18 C. L. Jermain , G. E. Rowlands , R. A. Buhrman , D. C. Ralph

To enhance the undergraduate and graduate engineering education for nanoscale materials, devices and systems, we report a multi-disciplinary course based on the integration of theory, hands-on laboratory and hands-on computation into a…

Mesoscale and Nanoscale Physics · Physics 2013-03-27 Hassan Raza , Tehseen Z. Raza

Micromagnetics has made significant strides, particularly due to its wide-ranging applications in magnetic storage design. Numerical simulation is a cornerstone of micromagnetics research, relying on first-principle rules to compute the…

Machine Learning · Computer Science 2024-10-22 Yunqi Cai , Jiangnan Li , Dong Wang

We present an introduction to the Quantum Toolbox in Python (QuTiP) in the context of an undergraduate quantum mechanics class and potential senior research projects. QuTiP provides ready-to-use definitions of standard quantum states and…

Physics Education · Physics 2019-10-01 Andrew M. C. Dawes

PolyMAPS is an open-source library that helps researchers to initialize LAMMPS molecular dynamics simulations. It introduces an integrated workflow by combining preparation, launching, visualization, and analysis into a single Jupyter…

Chemical Physics · Physics 2023-11-14 Xiaoli Yan , Santanu Chaudhuri

The QuVis Quantum Mechanics Visualization project aims to address challenges of quantum mechanics instruction through the development of interactive simulations for the learning and teaching of quantum mechanics. In this article, we…

Physics Education · Physics 2015-06-11 Antje Kohnle , Charles Baily , Anna Campbell , Natalia Korolkova , Mark J. Paetkau