Keith Tobias Butler

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	All	Since 2016
Citations	6628	5785
h-index	32	30
i10-index	63	56

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201220132014201520162017201820192020202118 19 141 600 854 938 994 1256 1677 50

Co-authors

Aron WalshDepartment of Materials, Imperial College London; Yonsei UniversityVerified email at imperial.ac.uk
Christopher H. HendonAssistant Professor of Chemistry, University of OregonVerified email at uoregon.edu
Jarvist Moore FrostImperial College London / KUANO.ai; on Twitter as @JarvistFrostVerified email at ic.ac.uk
Daniel W. DaviesDepartment of Chemistry, University College LondonVerified email at ucl.ac.uk
Mark van SchilfgaardeProfessor of Physics, King's College LondonVerified email at kcl.ac.uk
John H HardingProfessor of Materials Simulation, University of SheffieldVerified email at sheffield.ac.uk
Federico BrivioCharles UniversityVerified email at bath.ac.uk
Gregor KieslichTechnical University of Munich, Junior Research Group Leader (Liebig-Fellow)Verified email at tum.de
David ScanlonProfessor of Computational Materials Design at University College LondonVerified email at ucl.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
Arthur WeeberProgram manager PV Technologies, TNO Energy TransitionVerified email at tno.nl
Katrine L. SvanePost Doc, Danish Technical UniversityVerified email at dtu.dk
Olexandr IsayevAssistant Professor, Carnegie Mellon UniversityVerified email at olexandrisayev.com
Adam J. JacksonScience and Technology Facilities Council, UK (Scientific Computing Dept)Verified email at stfc.ac.uk
Gino HrkacProfessor of Functional Materials, University of ExeterVerified email at exeter.ac.uk
Alex GanoseLawrence Berkeley National LaboratoryVerified email at lbl.gov
Louis F PiperProfessor of Electrochemical Materials, WMG, Warwick UniversityVerified email at warwick.ac.uk
John BuckeridgeLecturer, London South Bank UniversityVerified email at lsbu.ac.uk
Per Erik VullumSINTEF IndustryVerified email at sintef.no

Keith Tobias Butler

Staff Scientist, SciML, Scientific Computing Division, Rutherford Appleton Laboratories

Verified email at stfc.ac.uk - Homepage

Machine Learning Materials Science Neutron Science Classical Electrostatics Photoferroics


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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	1770	2014
Machine learning for molecular and materials science KT Butler, DW Davies, H Cartwright, O Isayev, A Walsh Nature 559 (7715), 547-555, 2018	852	2018
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	557	2014
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh Apl Materials 2 (8), 081506, 2014	484	2014
Ferroelectric materials for solar energy conversion: photoferroics revisited KT Butler, JM Frost, A Walsh Energy & Environmental Science 8 (3), 838-848, 2015	263	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	210	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	200	2014
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	149	2016
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	137	2017
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	95	2015
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	87	2016
Prediction of electron energies in metal oxides A Walsh, KT Butler Accounts of chemical research 47 (2), 364-372, 2014	87	2014
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	71	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	70	2009
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	69	2017
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	67	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	63	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	59	2016
Role of entropic effects in controlling the polymorphism in formate ABX 3 metal–organic frameworks G Kieslich, S Kumagai, KT Butler, T Okamura, CH Hendon, S Sun, ... Chemical communications 51 (85), 15538-15541, 2015	59	2015
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	53	2016

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