Matt Probert
Matt Probert
Verified email at york.ac.uk - Homepage
TitleCited byYear
First-principles simulation: ideas, illustrations and the CASTEP code
MD Segall, PJD Lindan, MJ Probert, CJ Pickard, PJ Hasnip, SJ Clark, ...
Journal of Physics: Condensed Matter 14 (11), 2717, 2002
82892002
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
69802005
Exploring atomic defects in molybdenum disulphide monolayers
J Hong, Z Hu, M Probert, K Li, D Lv, X Yang, L Gu, N Mao, Q Feng, L Xie, ...
Nature communications 6, 6293, 2015
4892015
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
3422016
Improving the convergence of defect calculations in supercells: An ab initio study of the neutral silicon vacancy
MIJ Probert, MC Payne
Physical Review B 67 (7), 075204, 2003
1672003
A periodic genetic algorithm with real-space representation for crystal structure and polymorph prediction
NL Abraham, MIJ Probert
Physical Review B 73 (22), 224104, 2006
1412006
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
1352014
v.; Speybroeck, VV; Wills, JM; Yates, JR; Zhang, G.-X.; Cottenier, S
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351, 6280, 2016
1132016
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
1112010
Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces
XZ Li, MIJ Probert, A Alavi, A Michaelides
Physical review letters 104 (6), 066102, 2010
1022010
Langevin dynamics in constant pressure extended systems
D Quigley, MIJ Probert
The Journal of chemical physics 120 (24), 11432-11441, 2004
1002004
Stiffness and thermal expansion of ZrB2: an ab initio study
V Milman, B Winkler, MIJ Probert
Journal of physics: Condensed matter 17 (13), 2233, 2005
992005
Materials studio CASTEP, version 2.2
M Segall, P Linda, M Probert, C Pickard, P Hasnip, S Clark, M Payne
Accelrys: San Diego, CA, 2002
742002
Quantum simulation of low-temperature metallic liquid hydrogen
J Chen, XZ Li, Q Zhang, MIJ Probert, CJ Pickard, RJ Needs, ...
Nature communications 4, 2064, 2013
682013
Z. für Kristallogr
SJ Clark, MD Segall, CJ Pickard, PJ Hasnip, MIJ Probert, K Refson, ...
Cryst. Mater 220, 567, 2005
532005
Improved real-space genetic algorithm for crystal structure and polymorph prediction
NL Abraham, MIJ Probert
Physical Review B 77 (13), 134117, 2008
342008
J.; Refson, K.; Payne, MC First Principles Methods Using CASTEP
SJ Clark, MD Segall, CJ Pickard, PJ Hasnip, MI Probert
Z. Kristallogr.-Cryst. Mater 220, 567-570, 2005
322005
221 and MC Payne
SJ Clark, MD Segall, CJ Pickard, PJ Hasnip, MIJ Probert, K Refson
Zeitschrift für Kristallographie 220, 5-6, 2005
292005
Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures
XZ Li, B Walker, MIJ Probert, CJ Pickard, RJ Needs, A Michaelides
Journal of Physics: Condensed Matter 25 (8), 085402, 2013
282013
Improved algorithm for geometry optimisation using damped molecular dynamics
MIJ Probert
Journal of Computational Physics 191 (1), 130-146, 2003
212003
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Articles 1–20