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Microstructural analysis with electron backscatter diffraction (EBSD) involves sectioning and polishing to create a flat and preparation-artifact free surface. The quality of EBSD analysis is often dependant on this step, and this motivates…

Materials Science · Physics 2022-03-31 Ning Fang , Ruth Birch , T. Ben Britton

The orientation-dependence of thin-crystal lattice fringes can be gracefully quantified using fringe-visibility maps, a direct-space analog of Kikuchi maps. As in navigation of reciprocal space with the aid of Kikuchi lines,…

Materials Science · Physics 2015-06-24 P. Fraundorf , W. Qin , Peter Moeck , Eric Mandell

We present \code{phaser}, an open-source Python package that provides a unified interface to both conventional and gradient descent-based ptychographic algorithms. Features such as mixed-state probe, probe position correction, and…

Computational Physics · Physics 2025-07-21 Colin Gilgenbach , Menglin Zhu , James M. LeBeau

A Kohn-Sham (KS) inversion determines a KS potential and orbitals corresponding to a given electron density, a procedure that has applications in developing and evaluating functionals used in density functional theory. Despite the utility…

Computational Physics · Physics 2021-04-07 Seungsoo Nam , Ryan J. McCarty , Hansol Park , Eunji Sim

Ptychography is a computational imaging technique that has risen in popularity in the x-ray and electron microscopy communities in the past half decade. One of the reasons for this success is the development of new high performance electron…

Computational Physics · Physics 2023-09-26 Anton Gladyshev , Thomas C. Pekin , Marcel Schloz , Benedikt Haas , Johannes Müller , Christoph T. Koch

Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address…

Materials Science · Physics 2026-05-27 Junxi Yu , Yichen Liu , Cheng-Cheng Liu

Scientific inference is often undermined by the vast but rarely explored "multiverse" of defensible modelling choices, which can generate results as variable as the phenomena under study. We introduce RobustiPy, an open-source Python…

Methodology · Statistics 2026-05-20 Daniel Valdenegro , Jiani Yan , Duiyi Dai , Charles Rahal

Scanning transmission electron microscopy (STEM) has become a cornerstone instrument for semiconductor materials metrology, enabling nanoscale analysis of complex multilayer structures that define device performance. Developing effective…

TrueEBSD is an open-source MATLAB program for image alignment and spatial distortion correction of images and electron backscatter diffraction (EBSD) maps. We have re-implemented TrueEBSD as an add-on to MTEX, an established toolbox for…

Materials Science · Physics 2026-05-04 Vivian Tong , Stefan Olovsjö , Rachid M'Saoubi , Mathias Grabner , Manuel Petersmann , Liam Wright

The open-source PyNX toolkit [Favre-Nicolin et al (2011) arXiv:1010.2641, Mandula et al (2016)] has been extended to provide tools for coherent X-ray imaging data analysis and simulation. All calculations can be executed on graphical…

Electroencephalography (EEG) allows monitoring of brain activity, providing insights into the functional dynamics of various brain regions and their roles in cognitive processes. EEG is a cornerstone in sleep research, serving as the…

Machine Learning · Computer Science 2025-07-10 Niloy Sikder , Paul Zerr , Mahdad Jafarzadeh Esfahani , Martin Dresler , Matthias Krauledat

In this paper a novel biclustering algorithm based on artificial intelligence (AI) is introduced. The method called EBIC aims to detect biologically meaningful, order-preserving patterns in complex data. The proposed algorithm is probably…

Machine Learning · Computer Science 2018-07-27 Patryk Orzechowski , Moshe Sipper , Xiuzhen Huang , Jason H. Moore

Density functional approximations (DFAs) suffer from delocalization error, which limits their accuracy in predicting electron affinities (EAs), ionization potentials (IPs), and quasiparticle energies. In this work, we present a theoretical…

Chemical Physics · Physics 2026-04-07 Zipeng An , Xiaolong Yang , Xiao Zheng , Weitao Yang

Scanning nanobeam electron diffraction (NBED) with fast pixelated detectors is a valuable technique for rapid, spatially resolved mapping of lattice structure over a wide range of length scales. However, intensity variations caused by…

Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is…

Perovskite oxides such as LaFeO$_3$ are a well-studied family of materials that possess a wide range of useful and novel properties. Successfully synthesizing perovskite oxide samples usually requires a significant number of growth attempts…

Materials Science · Physics 2025-04-09 Patrick T. Gemperline , Rajendra Paudel , Rama K. Vasudevan , Ryan B. Comes

This is the manual for the version 2 of HackAnalysis, a powerful, lightweight, versatile and, most importantly, hackable, recasting tool. New features in this version include: compressed event format storage for ultra-fast development;…

High Energy Physics - Phenomenology · Physics 2024-06-17 Mark D. Goodsell

{\mu}Manager, an open-source microscopy acquisition software, has been an essential tool for many microscopy experiments over the past 15 years, but is not easy to use for experiments in which image acquisition and analysis are closely…

Quantitative Methods · Quantitative Biology 2024-02-12 Henry Pinkard , Nico Stuurman , Laura Waller

HIPSTER (Heavily Ionising Particle Standard Toolkit for Event Recognition) is an open source Python package designed to facilitate the use of TensorFlow in a high energy physics analysis context. The core functionality of the software is…

High Energy Physics - Experiment · Physics 2019-09-18 Adrian Bevan , Thomas Charman , Jonathan Hays

The aim of this paper is to give a presentation of the Python toolbox YALTAPy dedicated to the stability study of standard and fractional delay systems as well as its online version YALTAPy_Online. Both toolboxes are derived from YALTA…

Optimization and Control · Mathematics 2022-12-13 Hugo Cavalera , Jayvir Raj , Guilherme Mazanti , Catherine Bonnet