| 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 | 41 | 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 | 37 | 2021 |
| 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 | 34 | 2023 |
| In search of hidden defects I Mosquera-Lois, SR Kavanagh Matter 4 (8), 2602-2605, 2021 | 19 | 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 | 17 | 2022 |
| 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 | 9 | 2023 |
| 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, 2023 | 8 | 2023 |
| 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 | 4 | 2020 |
| Machine-learning structural reconstructions for accelerated point defect calculations I Mosquera-Lois, SR Kavanagh, AM Ganose, A Walsh arXiv preprint arXiv:2401.12127, 2024 | 2 | 2024 |
| doped: Python toolkit for robust and repeatable charged defect supercell calculations SR Kavanagh, AG Squires, A Nicolson, I Mosquera-Lois, AM Ganose, ... arXiv preprint arXiv:2403.08012, 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 |
Seán R. KavanaghMaterials, Imperial College London & Chemistry, University College LondonVerified email at ucl.ac.uk
