572 citations · 3.1k across the 61 of their papers we have counts for
66 papers
Understanding defects in amorphous silicon with million-atom simulations and machine learning
Joe D. Morrow, Chinonso Ugwumadu, David A. Drabold +3
The structure of amorphous silicon is widely thought of as a fourfold-connected random network, and yet it is defective atoms, with fewer or more than four bonds, that make it part…
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…
Quantitative three-dimensional local order analysis of nanomaterials through electron diffraction
Ella Mara Schmidt, Paul Benjamin Klar, Yasar Krysiak +3
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides…
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…
Structure and dynamics of the negative thermal expansion material Cd(CN) under hydrostatic pressure
Chloe S. Coates, Mia Baise, Johanthan M. Bulled +7
We use a combination of variable-temperature / variable-pressure neutron powder diffraction, variable-pressure inelastic neutron scattering, and quantum chemical calculations to in…
Tuning electronic and phononic states with hidden order in disordered crystals
Nikolaj Roth, Andrew L. Goodwin
Disorder in crystals is rarely random, and instead involves local correlations whose presence and nature are hidden from conventional crystallographic probes. This hidden order can…