| Machine learning for molecular and materials science KT Butler, DW Davies, H Cartwright, O Isayev, A Walsh Nature 559 (7715), 547-555, 2018 | 3806 | 2018 |
| Atomistic origins of high-performance in hybrid halide perovskite solar cells JM Frost, KT Butler, F Brivio, CH Hendon, M Van Schilfgaarde, A Walsh Nano letters 14 (5), 2584-2590, 2014 | 2674 | 2014 |
| Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers F Brivio, KT Butler, A Walsh, M Van Schilfgaarde Physical Review B 89 (15), 155204, 2014 | 847 | 2014 |
| Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh Apl Materials 2 (8), 2014 | 624 | 2014 |
| Ferroelectric materials for solar energy conversion: photoferroics revisited KT Butler, JM Frost, A Walsh Energy & Environmental Science 8 (3), 838-848, 2015 | 473 | 2015 |
| Best practices in machine learning for chemistry N Artrith, KT Butler, FX Coudert, S Han, O Isayev, A Jain, A Walsh Nature chemistry 13 (6), 505-508, 2021 | 398 | 2021 |
| Heterogeneous catalytic hydrogenation of CO 2 by metal oxides: defect engineering–perfecting imperfection J Jia, C Qian, Y Dong, YF Li, H Wang, M Ghoussoub, KT Butler, A Walsh, ... Chemical Society Reviews 46 (15), 4631-4644, 2017 | 373 | 2017 |
| Interplay of orbital and relativistic effects in bismuth oxyhalides: BiOF, BiOCl, BiOBr, and BiOI AM Ganose, M Cuff, KT Butler, A Walsh, DO Scanlon Chemistry of materials 28 (7), 1980-1984, 2016 | 356 | 2016 |
| Band alignment of the hybrid halide perovskites CH 3 NH 3 PbCl 3, CH 3 NH 3 PbBr 3 and CH 3 NH 3 PbI 3 KT Butler, JM Frost, A Walsh Materials Horizons 2 (2), 228-231, 2015 | 327 | 2015 |
| Electronic chemical potentials of porous metal–organic frameworks KT Butler, CH Hendon, A Walsh Journal of the American Chemical Society 136 (7), 2703-2706, 2014 | 324 | 2014 |
| How strong is the hydrogen bond in hybrid perovskites? KL Svane, AC Forse, CP Grey, G Kieslich, AK Cheetham, A Walsh, ... The journal of physical chemistry letters 8 (24), 6154-6159, 2017 | 234 | 2017 |
| Computational screening of all stoichiometric inorganic materials DW Davies, KT Butler, AJ Jackson, A Morris, JM Frost, JM Skelton, ... Chem 1 (4), 617-627, 2016 | 188 | 2016 |
| Relativistic electronic structure and band alignment of BiSI and BiSeI: candidate photovoltaic materials AM Ganose, KT Butler, A Walsh, DO Scanlon Journal of Materials Chemistry A 4 (6), 2060-2068, 2016 | 161 | 2016 |
| Interpretable and explainable machine learning for materials science and chemistry F Oviedo, JL Ferres, T Buonassisi, KT Butler Accounts of Materials Research 3 (6), 597-607, 2022 | 160 | 2022 |
| Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination J Buckeridge, KT Butler, CRA Catlow, AJ Logsdail, DO Scanlon, ... Chemistry of Materials 27 (11), 3844-3851, 2015 | 148 | 2015 |
| Computational materials design of crystalline solids KT Butler, JM Frost, JM Skelton, KL Svane, A Walsh Chemical Society Reviews 45 (22), 6138-6146, 2016 | 144 | 2016 |
| Prediction of electron energies in metal oxides A Walsh, KT Butler Accounts of chemical research 47 (2), 364-372, 2014 | 133 | 2014 |
| Mutual insight on ferroelectrics and hybrid halide perovskites: a platform for future multifunctional energy conversion R Pandey, G Vats, J Yun, CR Bowen, AWY Ho‐Baillie, J Seidel, KT Butler, ... Advanced Materials 31 (43), 1807376, 2019 | 131 | 2019 |
| Linking in situ charge accumulation to electronic structure in doped SrTiO3 reveals design principles for hydrogen-evolving photocatalysts B Moss, Q Wang, KT Butler, R Grau-Crespo, S Selim, A Regoutz, ... Nature Materials 20 (4), 511-517, 2021 | 117 | 2021 |
| Machine learning and big scientific data T Hey, K Butler, S Jackson, J Thiyagalingam Philosophical Transactions of the Royal Society A 378 (2166), 20190054, 2020 | 114 | 2020 |
Aron WalshDepartment of Materials, Imperial College London在 imperial.ac.uk 的电子邮件经过验证