Keith Tobias Butler

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Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
Christopher H. HendonAssistant Professor of Chemistry, University of OregonVerified email at uoregon.edu
Daniel W. DaviesResearch Computing Service, Information & Communication Technology, Imperial College LondonVerified email at imperial.ac.uk
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 IsayevAssistant Professor, Carnegie Mellon UniversityVerified email at olexandrisayev.com
John H HardingProfessor of Materials Simulation, University of SheffieldVerified email at sheffield.ac.uk
David ScanlonProfessor of Computational Materials Design at University College LondonVerified email at ucl.ac.uk
Federico BrivioCharles UniversityVerified email at bath.ac.uk
Jonathan Michael SkeltonSchool 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
Katrine L. SvanePost Doc, Copenhagen UniversityVerified email at chem.ku.dk
Arthur WeeberProgram Manager Solar Energy, TNO Energy TransitionVerified email at tno.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

SEMS, Queen Mary University of London

Verified email at qmul.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	2278	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	2268	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	720	2014
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh Apl Materials 2 (8), 081506, 2014	578	2014
Ferroelectric materials for solar energy conversion: photoferroics revisited KT Butler, JM Frost, A Walsh Energy & Environmental Science 8 (3), 838-848, 2015	369	2015
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	276	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	272	2014
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	270	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	264	2016
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	155	2017
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	152	2021
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	135	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	126	2015
Prediction of electron energies in metal oxides A Walsh, KT Butler Accounts of chemical research 47 (2), 364-372, 2014	118	2014
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	117	2016
Computational materials design of crystalline solids KT Butler, JM Frost, JM Skelton, KL Svane, A Walsh Chemical Society Reviews 45 (22), 6138-6146, 2016	105	2016
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	89	2014
Toward accurate relative energy predictions of the bioactive conformation of drugs KT Butler, FJ Luque, X Barril Journal of computational chemistry 30 (4), 601-610, 2009	84	2009
Origin of deep subgap states in amorphous indium gallium zinc oxide: Chemically disordered coordination of oxygen S Sallis, KT Butler, NF Quackenbush, DS Williams, M Junda, DA Fischer, ... Applied Physics Letters 104 (23), 232108, 2014	83	2014
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	80	2018

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