Matt Probert
Matt Probert
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Cited by
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
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
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 (1), 1-8, 2015
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
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
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
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
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
Langevin dynamics in constant pressure extended systems
D Quigley, MIJ Probert
The Journal of chemical physics 120 (24), 11432-11441, 2004
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
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
Quantum simulation of low-temperature metallic liquid hydrogen
J Chen, XZ Li, Q Zhang, MIJ Probert, CJ Pickard, RJ Needs, ...
Nature communications 4 (1), 1-5, 2013
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
Improved real-space genetic algorithm for crystal structure and polymorph prediction
NL Abraham, MIJ Probert
Physical Review B 77 (13), 134117, 2008
DL_MG: A parallel multigrid Poisson and Poisson–Boltzmann solver for electronic structure calculations in vacuum and solution
JC Womack, L Anton, J Dziedzic, PJ Hasnip, MIJ Probert, CK Skylaris
Journal of chemical theory and computation 14 (3), 1412-1432, 2018
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
Huge power factor in p-type half-Heusler alloys NbFeSb and TaFeSb
GA Naydenov, PJ Hasnip, VK Lazarov, MIJ Probert
Journal of Physics: Materials 2 (3), 035002, 2019
Improved algorithm for geometry optimisation using damped molecular dynamics
MIJ Probert
Journal of Computational Physics 191 (1), 130-146, 2003
Many-body renormalization of forces in -electron materials
E Plekhanov, P Hasnip, V Sacksteder, M Probert, SJ Clark, K Refson, ...
Physical Review B 98 (7), 075129, 2018
An ab initio study of xenon retention in α-quartz
MIJ Probert
Journal of physics: Condensed matter 22 (2), 025501, 2009
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