Aron Walsh

According to our database, Aron Walsh authored at least 14 papers between 2012 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

MADE: Benchmark Environments for Closed-Loop Materials Discovery.

Shreshth A. Malik, Tiarnan A. S. Doherty, Panagiotis Tigas, Muhammed Razzak, Stephen J. Roberts, Aron Walsh, Yarin Gal

CoRR, January, 2026

2025

Guiding Generative Models to Uncover Diverse and Novel Crystals via Reinforcement Learning.

Hyunsoo Park, Aron Walsh

CoRR, November, 2025

Continuous Uniqueness and Novelty Metrics for Generative Modeling of Inorganic Crystals.

Masahiro Negishi, Hyunsoo Park, Kinga O. Mastej, Aron Walsh

CoRR, October, 2025

MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform.

Yuan Chiang, Tobias Kreiman, Christine Zhang, Matthew C. Kuner, Elizabeth Weaver, Ishan Amin, Hyunsoo Park, Yunsung Lim, Jihan Kim, Daryl Chrzan, Aron Walsh, Samuel M. Blau, Mark Asta, Aditi S. Krishnapriyan

CoRR, September, 2025

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

Illuminating the property space in crystal structure prediction using Quality-Diversity algorithms.

Marta Wolinska, Aron Walsh, Antoine Cully

CoRR, 2024

Multi-Objective Quality-Diversity for Crystal Structure Prediction.

Hannah Janmohamed, Marta Wolinska, Shikha Surana, Thomas Pierrot, Aron Walsh, Antoine Cully

Proceedings of the Genetic and Evolutionary Computation Conference, 2024

2022

ShakeNBreak: Navigating the defect configurational landscape.

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

J. Open Source Softw., December, 2022

Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations.

Shanshan Wang, Menglin Huang, Yu-Ning Wu, Weibin Chu, Jin Zhao, Aron Walsh, Xin-Gao Gong, Suhuai Wei, Shiyou Chen

Nat. Comput. Sci., 2022

UnlockNN: Uncertainty quantification for neural network models of chemical systems.

Alexander Moriarty, Kazuki Morita, Keith T. Butler, Aron Walsh

J. Open Source Softw., 2022

2020

CarrierCapture.jl: Anharmonic Carrier Capture.

Sunghyun Kim, Samantha Hood, Puck van Gerwen, Lucy D. Whalley, Aron Walsh

J. Open Source Softw., 2020

2019

SMACT: Semiconducting Materials by Analogy and Chemical Theory.

Daniel W. Davies, Keith T. Butler, Adam J. Jackson, Jonathan Skelton, Kazuki Morita, Aron Walsh

J. Open Source Softw., 2019

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

2012

Introducing k-point parallelism into VASP.

Asimina Maniopoulou, Erlend R. M. Davidson, Ricardo Grau-Crespo, Aron Walsh, Ian J. Bush, C. Richard A. Catlow, Scott M. Woodley

Comput. Phys. Commun., 2012