Keith Refson

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Stewart ClarkProfessor of Physics, University of DurhamVerified email at durham.ac.uk
Matt ProbertUniversity of YorkVerified email at york.ac.uk
Phil HasnipUniversity of YorkVerified email at york.ac.uk
Victor MilmanBIOVIAVerified email at 3ds.com
Chris J. PickardSir Alan Cottrell Professor of Materials Science, University of CambridgeVerified email at cam.ac.uk
Alexei BosakEuropean Synchrotron Radiation FacilityVerified email at esrf.fr
Martin DoveProfessor of Condensed Matter Physics, Queen Mary University of LondonVerified email at qmul.ac.uk
Jonathan YatesDepartment of Materials, University of OxfordVerified email at materials.ox.ac.uk
Donald FraserProfessor of Earth SCiences, University of OxfordVerified email at earth.ox.ac.uk
DJ VoneshenInstrument Scientist, STFCVerified email at stfc.ac.uk
Neal SkipperUCLVerified email at ucl.ac.uk
Lkhamsuren BayarjargalGoethe-Universitaet, Frankfurt am MainVerified email at kristall.uni-frankfurt.de
Dan PorterDiamond Light Source Ltd.Verified email at diamond.ac.uk
Nicholas HarrisonImperial College LondonVerified email at imperial.ac.uk
Felix Fernandez-AlonsoIkerbasque Professor at Materials Physics Center & Donostia International Physics CenterVerified email at ehu.eus
Dominik Bogdan JochymSTFC Rutherford Appleton LaboratoryVerified email at stfc.ac.uk
Bill DavidSTFC Senior Fellow, ISIS & Professor of Chemistry, University of OxfordVerified email at stfc.ac.uk
Roy A. WogeliusEmeritus Professor of Geochemistry, University of ManchesterVerified email at manchester.ac.uk
Ramirez-Cuesta, Anibal Javier (Timmy)ORNLVerified email at ornl.gov
Moritz HoeschDesy, HamburgVerified email at desy.de

Keith Refson

ISIS Facility, Science and Technology Facilities Council, Harwell Campus, Chilton, Didcot, Oxon OX11

Verified email at stfc.ac.uk

condensed matter physics electronic structure theory materials physics density functional theory mineral physics


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First principles methods using CASTEP SJ Clark, MD Segall, CJ Pickard, PJ Hasnip, MIJ Probert, K Refson, ... Zeitschrift für kristallographie-crystalline materials 220 (5-6), 567-570, 2005	14032	2005
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016	1328	2016
Variational density-functional perturbation theory for dielectrics and lattice dynamics K Refson, PR Tulip, SJ Clark Physical Review B—Condensed Matter and Materials Physics 73 (15), 155114, 2006	906	2006
Density functional theory in the solid state PJ Hasnip, K Refson, MIJ Probert, JR Yates, SJ Clark, CJ Pickard Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014	459	2014
Moldy: a portable molecular dynamics simulation program for serial and parallel computers K Refson Computer Physics Communications 126 (3), 310-329, 2000	411	2000
Water chemisorption and reconstruction of the MgO surface K Refson, RA Wogelius, DG Fraser, MC Payne, MH Lee, V Milman Physical Review B 52 (15), 10823, 1995	317	1995
Computer simulation of interlayer water in 2: 1 clays NT Skipper, K Refson, JDC McConnell The Journal of Chemical Physics 94 (11), 7434-7445, 1991	302	1991
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation V Milman, K Refson, SJ Clark, CJ Pickard, JR Yates, SP Gao, PJ Hasnip, ... Journal of Molecular Structure: THEOCHEM 954 (1-3), 22-35, 2010	279	2010
Spin Singlet Formation in : Evidence of a Helical Dimerization Pattern M Schmidt, W Ratcliff, PG Radaelli, K Refson, NM Harrison, SW Cheong Physical review letters 92 (5), 056402, 2004	249	2004
Suppression of thermal conductivity by rattling modes in thermoelectric sodium cobaltate DJ Voneshen, K Refson, E Borissenko, M Krisch, A Bosak, A Piovano, ... Nature materials 12 (11), 1028-1032, 2013	208	2013
Novel rhenium nitrides A Friedrich, B Winkler, L Bayarjargal, W Morgenroth, EA Juarez-Arellano, ... Physical review letters 105 (8), 085504, 2010	169	2010
Role of disorder in the thermodynamics and atomic dynamics of glasses AI Chumakov, G Monaco, A Fontana, A Bosak, RP Hermann, D Bessas, ... Physical Review Letters 112 (2), 025502, 2014	168	2014
Nanoscale momentum-resolved vibrational spectroscopy FS Hage, RJ Nicholls, JR Yates, DG McCulloch, TC Lovejoy, N Dellby, ... Science Advances 4 (6), eaar7495, 2018	155	2018
Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study V Milman, A Perlov, K Refson, SJ Clark, J Gavartin, B Winkler Journal of Physics: Condensed Matter 21 (48), 485404, 2009	150	2009
Mechanisms of nickel sorption by a bacteriogenic birnessite J Peña, KD Kwon, K Refson, JR Bargar, G Sposito Geochimica et Cosmochimica Acta 74 (11), 3076-3089, 2010	142	2010
The kinetics and mechanism of MgO dissolution JA Mejias, AJ Berry, K Refson, DG Fraser Chemical Physics Letters 314 (5-6), 558-563, 1999	135	1999
Molecular dynamics simulation of water mobility in magnesium-smectite hydrates JA Greathouse, K Refson, G Sposito Journal of the American Chemical Society 122 (46), 11459-11464, 2000	129	2000
An ab initio study of hydrogen in forsterite and a possible mechanism for hydrolytic weakening JP Brodholt, K Refson Journal of Geophysical Research: Solid Earth 105 (B8), 18977-18982, 2000	120	2000
Defect-Induced Photoconductivity in Layered Manganese Oxides:<? format?> A Density Functional Theory Study KD Kwon, K Refson, G Sposito Physical review letters 100 (14), 146601, 2008	116	2008
Topological triplon modes and bound states in a Shastry–Sutherland magnet PA McClarty, F Krüger, T Guidi, SF Parker, K Refson, AW Parker, ... Nature Physics 13 (8), 736-741, 2017	110	2017

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