Pinned Repositories
amorphous-calcium-carbonate
Repository supporting the manuscript: Geometrically-frustrated interactions drive structural complexity in amorphous calcium carbonate.
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.
coarse-graining
Signposting the new location of the code CHIC.
dftd_labeler
A convenience tool to label structures with DFT dispersion corrections.
FluorA
Applies corrections and plots fluorescence data.
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
tcnicholas
My personal repository
tcnicholas.github.io
My personal repository.
tcnicholas's Repositories
tcnicholas/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.
tcnicholas/amorphous-calcium-carbonate
Repository supporting the manuscript: Geometrically-frustrated interactions drive structural complexity in amorphous calcium carbonate.
tcnicholas/dftd_labeler
A convenience tool to label structures with DFT dispersion corrections.
tcnicholas/coarse-graining
Signposting the new location of the code CHIC.
tcnicholas/FluorA
Applies corrections and plots fluorescence data.
tcnicholas/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
tcnicholas/tcnicholas
My personal repository
tcnicholas/tcnicholas.github.io
My personal repository.