Irea Mosquera-Lois

According to our database, Irea Mosquera-Lois authored at least 4 papers between 2021 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

2022

ShakeNBreak: Navigating the defect configurational landscape.

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

J. Open Source Softw., December, 2022

Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.

David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos

J. Cheminformatics, 2022

2021

TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.

David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos

J. Cheminformatics, 2021