Publicaciones en las que colabora con José María Soler Torroja (29)

2020

  1. Siesta: Recent developments and applications

    The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108

2008

  1. The SIESTA method; Developments and applicability

    Journal of Physics Condensed Matter, Vol. 20, Núm. 6

2004

  1. Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling

    Physics and Chemistry of Minerals, Vol. 31, Núm. 1, pp. 12-21

2003

  1. Electrons in dry DNA from density functional calculations

    Molecular Physics, Vol. 101, Núm. 11, pp. 1587-1594

2002

  1. The SIESTA method for ab initio order-N materials simulation

    Journal of Physics Condensed Matter, Vol. 14, Núm. 11, pp. 2745-2779

2001

  1. First principles study of the adsorption of C60 on Si(1 1 1)

    Surface Science

  2. Interplay between theory and experiment in solid state inorganic chemistry

    Journal of Materials Chemistry, Vol. 11, Núm. 1, pp. 1-10

  3. Linear scaling DFT calculations with numerical atomic orbitals

    Materials Research Society Symposium - Proceedings, Vol. 677, pp. AA9.6.1-AA9.6.12

  4. Linear scaling DFT calculations with numerical atomic orbitals

    Materials Research Society Symposium - Proceedings

  5. Zigzag equilibrium structure in monatomic wires

    Surface Science, Vol. 482-485, Núm. PART 2, pp. 1261-1265

2000

  1. Comment on “identifying molecular orientation of individual C60 on a Si(111)-(7 × 7) surface”

    Physical Review Letters, Vol. 85, Núm. 12, pp. 2653

  2. Do thiols merely passivate gold nanoclusters?

    Physical Review Letters, Vol. 85, Núm. 24, pp. 5250-5251

  3. Metallic bonding and cluster structure

    Physical Review B - Condensed Matter and Materials Physics, Vol. 61, Núm. 8, pp. 5771-5780

  4. Seeing molecular orbitals

    Chemical Physics Letters, Vol. 321, Núm. 1-2, pp. 78-82

  5. The structure and dynamics of crystalline durene by neutron scattering and numerical modelling using density functional methods

    Chemical Physics, Vol. 261, Núm. 1-2, pp. 189-203

1999

  1. Application of local-spin-density approximation to (formula presented) and tetrahedral (formula presented)

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 15, pp. 10594-10597

  2. Atomic layering at the liquid silicon surface: A first-principles simulation

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 24, pp. R16283-R16286

  3. Bonding and diffusion of Ba on a Si(001) reconstructed surface

    Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 7, pp. 4968-4971

  4. Electronic states in a finite carbon nanotube: A one-dimensional quantum box

    Physical Review Letters, Vol. 82, Núm. 17, pp. 3520-3523

  5. Linear-scaling ab-initio calculations for large and complex systems

    Physica Status Solidi (B) Basic Research, Vol. 215, Núm. 1, pp. 809-817