Teoría computacional en Física de la materia condensada
University of Cambridge
Cambridge, Reino UnidoPublicaciones en colaboración con investigadoras/es de University of Cambridge (13)
2020
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Wannier90 as a community code: New features and applications
Journal of Physics Condensed Matter, Vol. 32, Núm. 16
2014
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Self-organized overlayers formed by alanine on Cu{311} surfaces
Journal of Physical Chemistry C, Vol. 118, Núm. 32, pp. 18589-18603
2010
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Asymmetric relief of surface stress induced by a chiral adsorbate: Alaninate adsorption on Cu(110)
Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 20
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Atomic roughness of an intrinsically chiral surface orientation of an FCC metal: Cu{531}
Journal of Physical Chemistry C, Vol. 114, Núm. 9, pp. 4114-4117
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Ordered vacancy network induced by the growth of epitaxial graphene on Pt(111)
Physical Review Letters, Vol. 105, Núm. 21
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Surface stress in d-band metal surfaces
Journal of Physics Condensed Matter, Vol. 22, Núm. 13
2009
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Mechanisms for H2 reduction on the PdO{101} surface and the Pd{100}-(√5 × √5)R27°-O surface oxide
Journal of Physical Chemistry C, Vol. 113, Núm. 38, pp. 16757-16765
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Methane dissociation and methyl diffusion on PdO{100}
Journal of Chemical Physics, Vol. 130, Núm. 1
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Surface stress of stepped chiral metal surfaces
Physical Review Letters, Vol. 102, Núm. 2
2008
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Quantitative LEED analysis using a simultaneous optimization algorithm
Journal of Physics Condensed Matter, Vol. 20, Núm. 30
2007
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Dissociation energy of the water dimer from quantum Monte Carlo calculations
Journal of Chemical Physics, Vol. 127, Núm. 12
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LEED-IV study of the rutile Ti O2 (110) -1×2 surface with a Ti-interstitial added-row reconstruction
Physical Review B - Condensed Matter and Materials Physics, Vol. 75, Núm. 8
2006
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Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers
Journal of Chemical Physics, Vol. 124, Núm. 2