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dongsheng-wen's Projects

chemdash icon chemdash

Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments

icsdclient icon icsdclient

A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/index.xhtml for further details.

lovelyplots icon lovelyplots

Matplotlib style sheets to nicely format figures for scientific papers, thesis and presentations while keeping them fully editable in Adobe Illustrator.

p4vasp icon p4vasp

p4vasp, the VASP Visualization Tool

phasefieldranking icon phasefieldranking

Unsupervised ranking of the elemental combinations (phase fields) by similarity with the patterns learnt from ICSD

pysspredict icon pysspredict

pySSpredict demo on nanoHUB: https://nanohub.org/tools/pysspredict

vc-chemdash icon vc-chemdash

Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments with variable composition functionality

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