134 citations · 227 across the 4 of their papers we have counts for
5 papers
The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning
Toby Boyne, Juan S. Campos, Becky D. Langdon +11
Machine learning has promised to change the landscape of laboratory chemistry, with impressive results in molecular property prediction and reaction retro-synthesis. However, chemi…
Accessible Chemical Space for Metal Nitride Perovskites
Bastien F. Grosso, Daniel W. Davies, Bonan Zhu +2
Building on the extensive exploration of metal oxide and metal halide perovskites, metal nitride perovskites represent a largely unexplored class of materials. We report a multi-ti…
Bandgap Lowering in Mixed Alloys of Cs2Ag(SbxBi1-x)Br6 Double Perovskite Thin Films
Zewei Li, Sean Kavanagh, Mari Napari +10
Halide double perovskites have gained significant attention, owing to their composition of low-toxicity elements, stability in air and long charge-carrier lifetimes. However, most…
Modelling the dielectric constants of crystals using machine learning
Kazuki Morita, Daniel W. Davies, Keith T. Butler +1
The relative permittivity of a crystal is a fundamental property that links microscopic chemical bonding to macroscopic electromagnetic response. Multiple models, including analyti…
A Reversible Structural Phase Transition by Electrochemical Ion Injection into a Conjugated Polymer
Connor G. Bischak, Lucas Q. Flagg, Kangrong Yan +8
We find that conjugated polymers can undergo reversible structural phase transitions during electrochemical oxidation and ion injection. We study poly[2,5-bis(thiophenyl)-1,4-bis(2…