3 citations · 7 across the 4 of their papers we have counts for
6 papers
A 3D-PDF-like measure for hidden anisotropy in disordered materials
Helena Barker, Thomas C. Nicholas, Andrew L. Goodwin
We introduce a simple correlation function for quantifying hidden local anisotropy in disordered materials. Developed in analogy with the three-dimensional difference pair distribu…
Structural signatures of a topological transition in a disordered tetrahedral network
Florence Ellary, Thomas C. Nicholas, Dwaipayan Chakrabarti +2
Topological transitions in disordered network materials are often characterised using descriptors of entanglement, such as ring linking and writhe, which can be difficult to access…
The structure and topology of an amorphous metal-organic framework
Thomas C. Nicholas, Daniel F. Thomas du Toit, Louise A. M. Rosset +3
Amorphous metal-organic frameworks are an important emerging materials class that combine the attractive physical properties of the amorphous state with the versatility of metal-or…
Coarse-grained versus fully atomistic machine learning for zeolitic imidazolate frameworks
Zoé Faure Beaulieu, Thomas C. Nicholas, John L. A. Gardner +2
Zeolitic imidazolate frameworks are widely thought of as being analogous to inorganic AB phases. We test the validity of this assumption by comparing simplified and fully ato…
Geometrically-frustrated interactions drive structural complexity in amorphous calcium carbonate
Thomas C. Nicholas, Adam E. Stones, Adam Patel +5
Amorphous calcium carbonate (ACC) is an important precursor for biomineralisation in marine organisms. Among the key outstanding problems regarding ACC are how best to understand i…
Understanding the Geometric Diversity of Inorganic and Hybrid Frameworks through Structural Coarse-Graining
Thomas C. Nicholas, Andrew L. Goodwin, Volker L. Deringer
Much of our understanding of complex structures is based on simplification: for example, metal-organic frameworks are often discussed in the context of "nodes" and "linkers", allow…