Keith Tobias Butler

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Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
Christopher H. HendonAssociate Professor of Chemistry, University of OregonVerified email at uoregon.edu
Daniel W. DaviesBenevolentAIVerified email at benevolent.ai
Jarvist Moore FrostImperial College London / KUANO.ai; on Twitter as @JarvistFrostVerified email at ic.ac.uk
Gregor KieslichTechnical University of Munich, Research Group LeaderVerified email at tum.de
Mark van SchilfgaardeProfessor of Physics, King's College LondonVerified email at kcl.ac.uk
Olexandr IsayevCarl and Amy Jones Professor of Chemistry, Carnegie Mellon UniversityVerified email at olexandrisayev.com
Jonathan Michael SkeltonDepartment of Chemistry, University of ManchesterVerified email at manchester.ac.uk
Anthony CheethamGoldsmiths' Professor of Materials Science Emeritus, University of CambridgeVerified email at cam.ac.uk
John H HardingProfessor of Materials Simulation, University of SheffieldVerified email at sheffield.ac.uk
Federico BrivioUniversity of PadovaVerified email at unipd.it
David ScanlonChair in Computational Chemistry at University of BirminghamVerified email at bham.ac.uk
Katrine L. SvanePost Doc, Copenhagen UniversityVerified email at chem.ku.dk
Adam J. JacksonScience and Technology Facilities Council, UK (Scientific Computing Dept)Verified email at stfc.ac.uk
Arthur WeeberProfessor Applied Silicon Photovoltaics, PVMD Group, Delft University of TechnologyVerified email at tudelft.nl
Alex GanoseImperial College LondonVerified email at imperial.ac.uk
Gino HrkacProfessor of Functional Materials, University of ExeterVerified email at exeter.ac.uk
John BuckeridgeSenior Lecturer, London South Bank UniversityVerified email at lsbu.ac.uk
Per Erik VullumSINTEF IndustryVerified email at sintef.no
Joseph WoicikNISTVerified email at bnl.gov

Keith Tobias Butler

Department of Chemistry, University College London

Verified email at ucl.ac.uk - Homepage

Machine Learning Materials Science Energy Materials Interfaces


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Machine learning for molecular and materials science KT Butler, DW Davies, H Cartwright, O Isayev, A Walsh Nature 559 (7715), 547-555, 2018	3759	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	2673	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	845	2014
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh Apl Materials 2 (8), 2014	621	2014
Ferroelectric materials for solar energy conversion: photoferroics revisited KT Butler, JM Frost, A Walsh Energy & Environmental Science 8 (3), 838-848, 2015	471	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	394	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	369	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	355	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	325	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	325	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	233	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	187	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	156	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	146	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	115	2020

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