David O. Scanlon

According to our database, David O. Scanlon authored at least 8 papers between 2014 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

doped: Python toolkit for robust and repeatable charged defect supercell calculations.

Seán R. Kavanagh, Alexander G. Squires, Adair Nicolson, Irea Mosquera-Lois, Alex M. Ganose, Bonan Zhu, Katarina Brlec, Aron Walsh, David O. Scanlon

J. Open Source Softw., April, 2024

easyunfold: A Python package for unfolding electronic band structures.

Bonan Zhu, Seán R. Kavanagh, David O. Scanlon

J. Open Source Softw., February, 2024

2023

py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations.

Alexander G. Squires, David O. Scanlon, Benjamin J. Morgan

J. Open Source Softw., February, 2023

2022

ShakeNBreak: Navigating the defect configurational landscape.

Irea Mosquera-Lois, Seán R. Kavanagh, Aron Walsh, David O. Scanlon

J. Open Source Softw., December, 2022

2021

Surfaxe: Systematic surface calculations.

Katarina Brlec, Daniel W. Davies, David O. Scanlon

J. Open Source Softw., 2021

2018

Galore: Broadening and weighting for simulation of photoelectron spectroscopy.

Adam J. Jackson, Alex M. Ganose, Anna Regoutz, Russel G. Egdell, David O. Scanlon

J. Open Source Softw., 2018

sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations.

Alex M. Ganose, Adam J. Jackson, David O. Scanlon

J. Open Source Softw., 2018

2014

Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds.

John Buckeridge, David O. Scanlon, Aron Walsh, C. Richard A. Catlow

Comput. Phys. Commun., 2014