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Keith Refson
Keith Refson
ISIS Facility, Science and Technology Facilities Council, Harwell Campus, Chilton, Didcot, Oxon OX11
Zweryfikowany adres z stfc.ac.uk
Tytuł
Cytowane przez
Cytowane przez
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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
147712005
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
14142016
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
9392006
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
4732014
V. peybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351, 1415-1423, 2016
4502016
Moldy: a portable molecular dynamics simulation program for serial and parallel computers
K Refson
Computer Physics Communications 126 (3), 310-329, 2000
4222000
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
3191995
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
2842010
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
2482004
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
2132013
Novel rhenium nitrides
A Friedrich, B Winkler, L Bayarjargal, W Morgenroth, EA Juarez-Arellano, ...
Physical review letters 105 (8), 085504, 2010
1752010
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
Structural, electronic and vibrational properties of tetragonal zirconia under pressure: adensity functional theory study
V Milman, A Perlov, K Refson, SJ Clark, J Gavartin, B Winkler
Journal of Physics: Condensed Matter 21 (48), 485404, 2009
1572009
Nanoscale momentum-resolved vibrational spectroscopy
FS Hage, RJ Nicholls, JR Yates, DG McCulloch, TC Lovejoy, N Dellby, ...
Science Advances 4 (6), eaar7495, 2018
1552018
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
1442010
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
1352000
The kinetics and mechanism of MgO dissolution
JA Mejias, AJ Berry, K Refson, DG Fraser
Chemical Physics Letters 314 (5-6), 558-563, 1999
1351999
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
1182008
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