Seán R. Kavanagh

According to our database, Seán R. Kavanagh authored at least 4 papers between 2022 and 2025.

Collaborative distances:

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

2025

High-performance training and inference for deep equivariant interatomic potentials.

Chuin Wei Tan, Marc L. Descoteaux, Mit Kotak, Gabriel de Miranda Nascimento, Seán R. Kavanagh, Laura Zichi, Menghang Wang, Aadit Saluja, Yizhong R. Hu, Tess E. Smidt, Anders Johansson, William C. Witt, Boris Kozinsky, Albert Musaelian

CoRR, April, 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

easyunfold: A Python package for unfolding electronic band structures.

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

J. Open Source Softw., February, 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