Aron Walsh

Publication Activity (10 Years)

Years Active: 2012-2024
Publications (10 Years): 9

Top Topics

Prediction Accuracy

Space Filling Curves

Quality Prediction

Top Venues

J. Open Source Softw.

Comput. Phys. Commun.

Nat. Comput. Sci.

Publications

Seán R. Kavanagh, Alexander G. Squires, Adair Nicolson, Irea Mosquera-Lois, Alex M. Ganose, Bonan Zhu, Katarina Brlec, Aron Walsh, David O. Scanlon
doped: Python toolkit for robust and repeatable charged defect supercell calculations. J. Open Source Softw. 9 (96) (2024)
Hannah Janmohamed, Marta Wolinska, Shikha Surana, Thomas Pierrot, Aron Walsh, Antoine Cully
Multi-Objective Quality-Diversity for Crystal Structure Prediction. GECCO (2024)
Marta Wolinska, Aron Walsh, Antoine Cully
Illuminating the property space in crystal structure prediction using Quality-Diversity algorithms. CoRR (2024)
Hannah Janmohamed, Marta Wolinska, Shikha Surana, Thomas Pierrot, Aron Walsh, Antoine Cully
Multi-Objective Quality-Diversity for Crystal Structure Prediction. CoRR (2024)
Alexander Moriarty, Kazuki Morita, Keith T. Butler, Aron Walsh
UnlockNN: Uncertainty quantification for neural network models of chemical systems. J. Open Source Softw. 7 (75) (2022)
Shanshan Wang, Menglin Huang, Yu-Ning Wu, Weibin Chu, Jin Zhao, Aron Walsh, Xin-Gao Gong, Suhuai Wei, Shiyou Chen
Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations. Nat. Comput. Sci. 2 (8) (2022)
Irea Mosquera-Lois, Seán R. Kavanagh, Aron Walsh, David O. Scanlon
ShakeNBreak: Navigating the defect configurational landscape. J. Open Source Softw. 7 (80) (2022)
Sunghyun Kim, Samantha Hood, Puck van Gerwen, Lucy D. Whalley, Aron Walsh
CarrierCapture.jl: Anharmonic Carrier Capture. J. Open Source Softw. 5 (47) (2020)
Daniel W. Davies, Keith Butler, Adam J. Jackson, Jonathan Skelton, Kazuki Morita, Aron Walsh
SMACT: Semiconducting Materials by Analogy and Chemical Theory. J. Open Source Softw. 4 (38) (2019)
John Buckeridge, David O. Scanlon, Aron Walsh, C. Richard A. Catlow
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. Comput. Phys. Commun. 185 (1) (2014)
Asimina Maniopoulou, Erlend R. M. Davidson, Ricardo Grau-Crespo, Aron Walsh, Ian J. Bush, C. Richard A. Catlow, Scott M. Woodley
Introducing k-point parallelism into VASP. Comput. Phys. Commun. 183 (8) (2012)