All Stories

  1. Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes

    Article • Nanoscale, January 2015, Royal Society of Chemistry

    Professor Amanda S Barnard, Dr Manolo C Per

  2. Size and shape dependent deprotonation potential and proton affinity of nanodiamond

    Article • Nanotechnology, October 2014, Institute of Physics Publishing

    Professor Amanda S Barnard, Dr Manolo C Per

  3. Ab initio electronic properties of dual phosphorus monolayers in silicon

    Article • Nanoscale Research Letters, August 2014, Springer Science + Business Media

    Dr Manolo C Per

  4. Molecular ionization and deprotonation energies as indicators of functional coating performance

    Article • Journal of Materials Chemistry A, August 2014, Royal Society of Chemistry

    Professor Amanda S Barnard, Dr Manolo C Per

  5. Erratum: Delocalized Oxygen as the Origin of Two-Level Defects in Josephson Junctions [Phys. Rev. Lett. 110, 077002 (2013)]

    Article • Physical Review Letters, July 2014, American Physical Society (APS)

    Dr Manolo C Per

  6. Ab Initio Electronic Properties of Monolayer Phosphorus Nanowires in Silicon

    Article • Physical Review Letters, March 2013, American Physical Society (APS)

    Dr Manolo C Per

  7. Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in silicon

    Article • Nanoscale Research Letters, February 2013, Springer Science + Business Media

    Dr Manolo C Per

  8. Delocalized Oxygen as the Origin of Two-Level Defects in Josephson Junctions

    Article • Physical Review Letters, February 2013, American Physical Society (APS)

    Dr Manolo C Per

  9. Efficient calculation of unbiased expectation values in diffusion quantum Monte Carlo

    Article • Physical Review B, November 2012, American Physical Society (APS)

    Dr Manolo C Per

  10. Electronic properties of multiple adjacentδ-doped Si:P layers: The approach to monolayer confinement

    Article • Physical Review B, October 2012, American Physical Society (APS)

    Dr Manolo C Per

  11. How Important is Orbital Choice in Single-Determinant Diffusion Quantum Monte Carlo Calculations?

    Article • Journal of Chemical Theory and Computation, July 2012, American Chemical Society (ACS)

    Dr Manolo C Per

  12. Ab initio thermodynamics calculation of the relative concentration of NV − and NV 0 defects in diamond

    Article • Physical Review B, January 2012, American Physical Society (APS)

    Dr Manolo C Per

  13. Zero-variance zero-bias quantum Monte Carlo estimators for the electron density at a nucleus

    Article • The Journal of Chemical Physics, October 2011, American Institute of Physics

    Dr Manolo C Per

  14. Thermodynamic stability of neutral Xe defects in diamond

    Article • Physical Review B, August 2010, American Physical Society (APS)

    Dr Manolo C Per

  15. Erratum: “Quantum Monte Carlo calculations of the potential energy curve of the helium dimer” [J. Chem. Phys. 128, 114308 (2008)]

    Article • The Journal of Chemical Physics, April 2010, American Institute of Physics

    Dr Manolo C Per

  16. Some comments on the DFT+D method

    Article • Chemical Physics Letters, October 2009, Elsevier

    Dr Manolo C Per

  17. Anisotropic intracule densities and electron correlation in H2: A quantum Monte Carlo study

    Article • The Journal of Chemical Physics, April 2009, American Institute of Physics

    Dr Manolo C Per

  18. An analysis of the correlation energy contribution to the interaction energy of inert gas dimers

    Article • The Journal of Chemical Physics, October 2008, American Institute of Physics

    Dr Manolo C Per

  19. Electron-nucleus cusp correction and forces in quantum Monte Carlo

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Dr Manolo C Per

  20. Quantum Monte Carlo calculations of the potential energy curve of the helium dimer

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Dr Manolo C Per

  21. Evaluation of the permutational structure of quantum gases at finite temperature

    Article • Physical Review E, March 2007, American Physical Society (APS)

    Dr Manolo C Per