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Keith Refson
Keith Refson
ISIS Facility, Science and Technology Facilities Council, Harwell Campus, Chilton, Didcot, Oxon OX11
Email verificata su stfc.ac.uk
Titolo
Citata da
Citata da
Anno
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
142622005
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
13622016
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
9162006
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
4662014
Moldy: a portable molecular dynamics simulation program for serial and parallel computers
K Refson
Computer Physics Communications 126 (3), 310-329, 2000
4132000
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
3171995
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
3021991
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
2942010
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
2492004
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
2122013
Novel rhenium nitrides
A Friedrich, B Winkler, L Bayarjargal, W Morgenroth, EA Juarez-Arellano, ...
Physical review letters 105 (8), 085504, 2010
1712010
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
1682014
Nanoscale momentum-resolved vibrational spectroscopy
FS Hage, RJ Nicholls, JR Yates, DG McCulloch, TC Lovejoy, N Dellby, ...
Science Advances 4 (6), eaar7495, 2018
1552018
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
1512009
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
1432010
The kinetics and mechanism of MgO dissolution
JA Mejias, AJ Berry, K Refson, DG Fraser
Chemical Physics Letters 314 (5-6), 558-563, 1999
1371999
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
1292000
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
1202000
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
1162008
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
1112017
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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