| Tautomeric mixture coordination enables efficient lead-free perovskite LEDs D Han, J Wang, L Agosta, Z Zang, B Zhao, L Kong, H Lu, I Mosquera-Lois, ... Nature 622 (7983), 493-498, 2023 | 143 | 2023 |
| Identifying the ground state structures of point defects in solids I Mosquera-Lois, SR Kavanagh, A Walsh, DO Scanlon npj Computational Materials 9 (1), 25, 2023 | 76 | 2023 |
| TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids D Ferro-Costas, I Mosquera-Lois, A Fernández-Ramos Journal of cheminformatics 13 (1), 100, 2021 | 43 | 2021 |
| ShakeNBreak: Navigating the defect configurational landscape I Mosquera-Lois, SR Kavanagh, A Walsh, DO Scanlon Journal of Open Source Software 7 (80), 4817, 2022 | 38 | 2022 |
| In search of hidden defects I Mosquera-Lois, SR Kavanagh Matter 4 (8), 2602-2605, 2021 | 31 | 2021 |
| Imperfections are not 0 K: free energy of point defects in crystals I Mosquera-Lois, SR Kavanagh, J Klarbring, K Tolborg, A Walsh Chemical Society Reviews 52 (17), 5812-5826, 2023 | 24 | 2023 |
| doped: Python toolkit for robust and repeatable charged defect supercell calculations SR Kavanagh, AG Squires, A Nicolson, I Mosquera-Lois, AM Ganose, ... Journal of Open Source Software 9 (96), 6433, 2024 | 21 | 2024 |
| Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles EA Alharbi, A Krishna, N Lempesis, M Dankl, I Mosquera-Lois, MA Hope, ... Joule 7 (1), 183-200, 2023 | 17 | 2023 |
| Machine-learning structural reconstructions for accelerated point defect calculations I Mosquera-Lois, SR Kavanagh, AM Ganose, A Walsh npj Computational Materials 10 (1), 121, 2024 | 7 | 2024 |
| Chemical reactivity from the vibrational ground-state level. The role of the tunneling path in the tautomerization of urea and derivatives I Mosquera-Lois, D Ferro-Costas, A Fernández-Ramos Physical Chemistry Chemical Physics 22 (43), 24951-24963, 2020 | 5 | 2020 |
| Multifaceted nature of defect tolerance in halide perovskites and emerging semiconductors I Mosquera-Lois, YT Huang, H Lohan, J Ye, A Walsh, RLZ Hoye arXiv preprint arXiv:2408.16663, 2024 | 1 | 2024 |
| Point defect formation at finite temperatures with machine learning force fields I Mosquera-Lois, J Klarbring, A Walsh arXiv preprint arXiv:2412.16741, 2024 | | 2024 |
| Publisher Correction: Tautomeric mixture coordination enables efficient lead-free perovskite LEDs D Han, J Wang, L Agosta, Z Zang, B Zhao, L Kong, H Lu, I Mosquera-Lois, ... Nature 632 (8025), E5, 2024 | | 2024 |
| rsc. li/chem-soc-rev I Mosquera-Lois, SR Kavanagh, J Klarbring, K Tolborg, A Walsh, M Li, ... Chem. Soc. Rev 52, 5892, 2023 | | 2023 |
| Symmetry-breaking and reconstruction at point defects in solids S Kavanagh, I Mosquera-Lois, A Walsh, D Scanlon APS March Meeting Abstracts 2023, D41. 002, 2023 | | 2023 |
| TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids (vol 13, 100, 2021) D Ferro-Costas, I Mosquera-Lois, A Fernandez-Ramos JOURNAL OF CHEMINFORMATICS 14 (1), 2022 | | 2022 |
Aron WalshDepartment of Materials, Imperial College Londonایمیل تأیید شده در imperial.ac.uk