Publicacións en colaboración con investigadores/as de Queen's University (36)

2013

  1. An Orbital Free ab initio Method: Applications to Liquid Metals and Clusters

    Recent Progress in Orbital-free Density Functional Theory (World Scientific Publishing Co.), pp. 55-145

2011

  1. Expanded fluid mercury in the metal-nonmetal transition range. An ab-initio MD study

    European Physical Journal: Special Topics, Vol. 196, Núm. 1, pp. 27-34

2009

  1. Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid mercury at room temperature

    Journal of Chemical Physics, Vol. 130, Núm. 19

  2. First-principles study of the layering at the free liquid Sn surface

    Physical Review B - Condensed Matter and Materials Physics, Vol. 80, Núm. 11

2007

  1. Liquid-vapor interface in the Li-Na liquid alloy. An ab initio molecular dynamics study

    Journal of Non-Crystalline Solids, Vol. 353, Núm. 32-40, pp. 3560-3564

  2. Surface structure in simple liquid metals. A first principles simulation

    Journal of Non-Crystalline Solids, Vol. 353, Núm. 32-40, pp. 3555-3559

2006

  1. Pressure-induced structural and dynamical changes in liquid Si - An ab initio study

    Journal of Physics Condensed Matter, Vol. 18, Núm. 15, pp. 3591-3605

  2. Structural and dynamical properties of liquid Si: An Orbital-free molecular dynamics study

    Physical Review B - Condensed Matter and Materials Physics, Vol. 73, Núm. 6

  3. Surface structure in simple liquid metals: An orbital-free first-principles study

    Physical Review B - Condensed Matter and Materials Physics, Vol. 74, Núm. 1

2004

  1. Kohn-Sham ab initio molecular dynamics study of liquid A1 near melting

    Physical Review B - Condensed Matter and Materials Physics, Vol. 70, Núm. 13

  2. Microscopic dynamics in the liquid Li-Na alloy: An ab initio molecular dynamics study

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 69, Núm. 3 1

  3. Surface Structure of Liquid Li and Na: An ab initio Molecular Dynamics Study

    Physical Review Letters, Vol. 92, Núm. 8

2003

  1. Collective ionic dynamics in the liquid Na-Cs alloy: An ab initio molecular dynamics study

    Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 67, Núm. 4, pp. 14

  2. Collective ionic dynamics in the liquid Na-Cs alloy: An ab initio molecular dynamics study

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 67, Núm. 4 1, pp. 412041-4120414

  3. Dynamic structure in a molten binary alloy by ab initio molecular dynamics: Crossover from hydrodynamics to the microscopic regime

    Europhysics Letters, Vol. 62, Núm. 1, pp. 42-48

  4. Solution of Poisson's equation for finite systems using plane-wave methods

    Canadian Journal of Physics, Vol. 81, Núm. 10, pp. 1151-1164