Metadata logging and data curation for multidimensional photoemission spectroscopy (MPES)
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Updated
Apr 21, 2019 - Python
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
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.
Data and Codes for Experimentally Validated Inverse design of Multi-Property Fe-Co-Ni alloys
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.
A workflow-style system to run Votca XTP
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
Project from Summer 2021 Research Internship @ Stanford
Code for applying symmetry-adapted Gaussian process regression (SA-GPR) models to predict tensor properties of materials and molecules
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