For analysis and modelling of surface characterisation data.
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Updated
Nov 9, 2021 - MATLAB
For analysis and modelling of surface characterisation data.
A flexible Python library for atomic structure generation.
ImageJ macros and plugins.
Quantum-CODEX is a proof-of-concept WebApp, CLI and API for sharing, archiving, and annotating computational materials science projects.
Analysis code for Soleil ARPES Data
How-To Setup for Dislocation Dynamics (MODEL Library)
Scripts related to the Large-scale Atomic Molecular Massively Parallel Simulator
A simple composition-based feature vectorization utility in Julia
A spin-off code of the 'Voronoi PCC Analyser' software project. Created as a simulation tool for nucleation-and-growth (NAG) structure evolution processes based on the discrete combinatorial representation of 2D and 3D polycrystalline materials.
Metadata logging and data curation for multidimensional photoemission spectroscopy (MPES)
Paper with code for screening ion and electron insulators (IEIs).
An object-oriented Python wrapper for the Machine Learning DYnamics package
Webinar Talk on Blender and 3D Graphics at the Henry Royce Institute, The University of Manchester, UK
A workflow-style system to run Votca XTP
Code for applying symmetry-adapted Gaussian process regression (SA-GPR) models to predict tensor properties of materials and molecules
Supplementary material (Python, Jupyter notebooks and MATLAB scripts) to arXiv preprint 1903.11815
Data analysis of experiments at the KMC-II beamline at Bessy II Synchrotron
Please cite this article when using this code: https://doi.org/10.1016/j.physb.2022.414059
Calculate solar reflective index using epsilon and alpha (emissivity) values
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