Chris J. Pickard

collaborators

2 papers

cond-mat.mtrl-sci2025

Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides

Lewis J. Conway, Chris J. Pickard

Crystal structures can be predicted from first-principles using ab initio random structure searching AIRSS and density functional theory (DFT). AIRSS provides a method to sample th…

cond-mat.supr-con2025

High-throughput superconducting $T_{c}$ predictions through density of states rescaling

Kieran Bozier, Kang Wang, Bartomeu Monserrat +1

First principles computational methods can predict the superconducting critical temperature $T_{c}$ of conventional superconductors through the electron-phonon spectral fu…

Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides

High-throughput superconducting Tc​ predictions through density of states rescaling

High-throughput superconducting $T_{c}$ predictions through density of states rescaling