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Matt Probert
Matt Probert
Bestätigte E-Mail-Adresse bei york.ac.uk - Startseite
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Zitiert von
Zitiert von
Jahr
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
137402005
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
124672002
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), 6293, 2015
14252015
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
12872016
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
4392014
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
2672010
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
2442003
A periodic genetic algorithm with real-space representation for crystal structure and polymorph prediction
NL Abraham, MIJ Probert
Physical Review B—Condensed Matter and Materials Physics 73 (22), 224104, 2006
1922006
Langevin dynamics in constant pressure extended systems
D Quigley, MIJ Probert
The Journal of chemical physics 120 (24), 11432-11441, 2004
1672004
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
1332010
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
1142005
Quantum simulation of low-temperature metallic liquid hydrogen
J Chen, XZ Li, Q Zhang, MIJ Probert, CJ Pickard, RJ Needs, ...
Nature communications 4 (1), 2064, 2013
1042013
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
822002
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
542019
Improved real-space genetic algorithm for crystal structure and polymorph prediction
NL Abraham, MIJ Probert
Physical Review B—Condensed Matter and Materials Physics 77 (13), 134117, 2008
492008
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
452018
J. Phys.: Condens. Matter
MD Segall, PJD Lindan, MJ Probert, CJ Pickard, PJ Hasnip, SJ Clark, ...
J. Phys.: Condens. Matter 14 (2717), 2002
432002
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
372013
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
362005
An ab initio study of xenon retention in α-quartz
MIJ Probert
Journal of physics: Condensed matter 22 (2), 025501, 2009
332009
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