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
Mark van SchilfgaardeProfessor of Physics, King's College LondonVerified email at kcl.ac.uk
Gregor KieslichTechnical University of Munich, Research Group LeaderVerified email at tum.de
Olexandr IsayevAssociate Professor, Carnegie Mellon UniversityVerified email at olexandrisayev.com
John H HardingProfessor of Materials Simulation, University of SheffieldVerified email at sheffield.ac.uk
David ScanlonChair in Computational Chemistry at University of BirminghamVerified email at bham.ac.uk
Jonathan Michael SkeltonSchool of Chemistry, University of ManchesterVerified email at manchester.ac.uk
Federico BrivioCharles UniversityVerified email at bath.ac.uk
Anthony CheethamGoldsmiths' Professor of Materials Science Emeritus, University of CambridgeVerified email at cam.ac.uk
Katrine L. SvanePost Doc, Copenhagen UniversityVerified email at chem.ku.dk
Arthur WeeberProfessor Applied Silicon Photovoltaics, PVMD Group, Delft University of TechnologyVerified email at tudelft.nl
Adam J. JacksonScience and Technology Facilities Council, UK (Scientific Computing Dept)Verified email at stfc.ac.uk
Alex GanoseImperial College LondonVerified email at imperial.ac.uk
Gino HrkacProfessor of Functional Materials, University of ExeterVerified email at exeter.ac.uk
Louis F PiperProfessor of Electrochemical Materials, WMG, Warwick UniversityVerified email at warwick.ac.uk
John BuckeridgeSenior Lecturer, London South Bank UniversityVerified email at lsbu.ac.uk
Per Erik VullumSINTEF IndustryVerified email at sintef.no

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	2838	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	2426	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	788	2014
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh Apl Materials 2 (8), 2014	587	2014
Ferroelectric materials for solar energy conversion: photoferroics revisited KT Butler, JM Frost, A Walsh Energy & Environmental Science 8 (3), 838-848, 2015	410	2015
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	310	2017
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	301	2015
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	298	2016
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	294	2014
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	241	2021
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	187	2017
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	145	2016
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	142	2016
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	137	2015
Prediction of electron energies in metal oxides A Walsh, KT Butler Accounts of chemical research 47 (2), 364-372, 2014	122	2014
Computational materials design of crystalline solids KT Butler, JM Frost, JM Skelton, KL Svane, A Walsh Chemical Society Reviews 45 (22), 6138-6146, 2016	120	2016
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	93	2019
Band engineering of carbon nitride monolayers by N-type, P-type, and isoelectronic doping for photocatalytic applications M Makaremi, S Grixti, KT Butler, GA Ozin, CV Singh ACS applied materials & interfaces 10 (13), 11143-11151, 2018	93	2018
Electronic structure modulation of metal–organic frameworks for hybrid devices KT Butler, CH Hendon, A Walsh ACS Applied Materials & Interfaces 6 (24), 22044-22050, 2014	90	2014
Impact of different Nd-rich crystal-phases on the coercivity of Nd–Fe–B grain ensembles G Hrkac, TG Woodcock, KT Butler, L Saharan, MT Bryan, T Schrefl, ... Scripta Materialia 70, 35-38, 2014	90	2014

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