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Thomas Nicholas (tcnicholas)

tcnicholas

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Location:Oxford

Twitter:@thomascnicholas

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Thomas Nicholas's repositories

chic

Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals and analysing crystal databases using machine-learning.

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amorphous-calcium-carbonate

Repository supporting the manuscript: Geometrically-frustrated interactions drive structural complexity in amorphous calcium carbonate.

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dftd_labeler

A convenience tool to label structures with DFT dispersion corrections.

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coarse-graining

Signposting the new location of the code CHIC.

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FluorA

Applies corrections and plots fluorescence data.

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hZIF-data

Supporting dataset for: Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks; Zoé Faure Beaulieu, Thomas Nicholas, John Gardner, Andrew Goodwin, and Volker Deringer

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tcnicholas

My personal repository

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tcnicholas.github.io

My personal repository.

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