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2020 – today
- 2024
[j8]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): 6433 (2024)- [c1]Hannah Janmohamed, Marta Wolinska, Shikha Surana, Thomas Pierrot, Aron Walsh, Antoine Cully:
Multi-Objective Quality-Diversity for Crystal Structure Prediction. GECCO 2024 - [i2]Marta Wolinska, Aron Walsh, Antoine Cully:
Illuminating the property space in crystal structure prediction using Quality-Diversity algorithms. CoRR abs/2403.03511 (2024) - [i1]Hannah Janmohamed, Marta Wolinska, Shikha Surana, Thomas Pierrot, Aron Walsh, Antoine Cully:
Multi-Objective Quality-Diversity for Crystal Structure Prediction. CoRR abs/2403.17164 (2024) - 2022
- [j7]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): 3700 (2022) - [j6]Irea Mosquera-Lois, Seán R. Kavanagh, Aron Walsh, David O. Scanlon:
ShakeNBreak: Navigating the defect configurational landscape. J. Open Source Softw. 7(80): 4817 (2022) - [j5]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): 486-493 (2022) - 2020
- [j4]Sunghyun Kim, Samantha Hood, Puck van Gerwen, Lucy D. Whalley, Aron Walsh:
CarrierCapture.jl: Anharmonic Carrier Capture. J. Open Source Softw. 5(47): 2102 (2020)
2010 – 2019
- 2019
- [j3]Daniel W. Davies, Keith T. Butler, Adam J. Jackson, Jonathan Skelton, Kazuki Morita, Aron Walsh:
SMACT: Semiconducting Materials by Analogy and Chemical Theory. J. Open Source Softw. 4(38): 1361 (2019) - 2014
- [j2]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): 330-338 (2014) - 2012
- [j1]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): 1696-1701 (2012)
Coauthor Index
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