J. Soler

发表

The SIESTA method for ab initio order-N materials simulation

D. Sánchez-Portal, J. Soler, E. Artacho, 2001, cond-mat/0111138.

Analysis of atomic orbital basis sets from the projection of plane-wave results

D. Sánchez-Portal, J. Soler, E. Artacho, 1995, cond-mat/9509053.

Density, structure, and dynamics of water: the effect of van der Waals interactions.

Emilio Artacho, J. Soler, E. Artacho, 2010, The Journal of chemical physics.

Projection of plane-wave calculations into atomic orbitals

Emilio Artacho, D. Sánchez-Portal, J. Soler, 1995 .

Efficient implementation of a van der Waals density functional: application to double-wall carbon nanotubes.

J. Soler, G. Román-Pérez, José M Soler, 2008, Physical review letters.

Electron-metal-surface interaction potential with vacuum tunneling: Observation of the image force

Fernando Flores, Heinrich Rohrer, G. Binnig, 1984 .

Optimization of an exchange-correlation density functional for water.

J. Soler, M. Fernández-Serra, Michelle Fritz, 2016, The Journal of chemical physics.

Density‐functional method for very large systems with LCAO basis sets

Daniel Sánchez-Portal, Emilio Artacho, Pablo Ordejón, 1997 .

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

D. Sánchez-Portal, J. Soler, E. Artacho, 1999 .

Electronic Structure Under Extreme Uniaxial Strains: Conductance in Metallic Nanocontacts.

J. Sáenz, D. Sánchez-Portal, J. Soler, 1997 .

Study of (Al2O3)n(Ox) clusters with n ≤ 16 and x = 0, 1, 2 from first principles calculations

J. Soler, E. M. Fernández, G. Borstel, 2003 .

On the cucker-smale flocking model applied to a formation moving in a central force field around the Earth

Fabrizio Paita, Josep Masdemont Soler, J. Soler, 2013 .

Strain-dependence of the electronic properties in periodic quadruple helical G4-wires.

A. Calzolari, J. Soler, R. Di Felice, 2005, The journal of physical chemistry. B.

Low-energy trajectory design and autonomous navigation to flyby near-Earth asteroids using CubeSats

J. Cuartielles, G. Muntané, J. Soler, 2018 .

Formation flying in space borne artificial magnetic dipole field

G. Muntané, J. Soler, Jianping Yuan, 2017 .

Microcluster Growth: Transition from Successive Monomer Addition to Coagulation

O. Echt, J. Soler, K. Sattler, 1982 .

Electronic and atomic structure of Na, Mg, Al and Pb clusters

J. A. Alonso, J. Soler, M. Iñiguez, 1988 .

A rational indicator of scientific creativity

J. Soler, 2006, J. Informetrics.

Reconfiguration of spacecraft formations in the vicinity of libration points

J. Soler, L. Taberner, Laura Taberner, 2009 .

The SIESTA method for ab initio order-N materials simulation

D. Sánchez-Portal, J. Soler, E. Artacho, 2001, cond-mat/0104182.

Systematic generation of finite-range atomic basis sets for linear-scaling calculations

J. Soler, E. Artacho, J. Junquera, 2002, cond-mat/0207548.

Planar and cagelike structures of gold clusters: Density-functional pseudopotential calculations

J. Soler, E. M. Fernández, L. Balbás, 2006, cond-mat/0606189.

Filtering a distribution simultaneously in real and Fourier space

J. Soler, E. Anglada, Eduardo Anglada, 2005, physics/0512211.

Stability, adsorption, and diffusion of CH₄, CO₂, and H₂ in clathrate hydrates.

J. Soler, F. Yndurain, G. Román-Pérez, 2010, Physical review letters.

AB INITIO STRUCTURAL, ELASTIC, AND VIBRATIONAL PROPERTIES OF CARBON NANOTUBES

D. Sánchez-Portal, J. Soler, E. Artacho, 1998, cond-mat/9811363.

Analysis of atomic orbital basis sets from the projection of plane-wave results

D. Sánchez-Portal, J. Soler, E. Artacho, 1995, cond-mat/9509053.

Projection of plane-wave calculations into atomic orbitals

D. Sánchez-Portal, J. Soler, E. Artacho, 1995, cond-mat/9505075.

Density functional simulation of small Fe nanoparticles

J. Soler, A. Postnikov, P. Entel, 2001, cond-mat/0109540.

Onset and evolution of ‘‘magic numbers’’ in mass spectra of molecular clusters

J. Soler, R. Casero, 1991 .

Surface layering and local structure in liquid surfaces

J. Soler, E. Artacho, G. Fabricius, 2001 .

Confinement of spacecraft swarms in J2-perturbed orbits about the earth

J. Soler, Laura García-Taberner, 2014 .

Exchange and correlation as a functional of the local density of states

J. Soler, 2003, cond-mat/0309507.

Efficient index handling of multidimensional periodic boundary conditions

J. Soler, 2001, cond-mat/0104182.

Coordination chemistry of 6-thioguanine derivatives with cobalt: toward formation of electrical conductive one-dimensional coordination polymers.

J. Soler, Miguel A. Galindo, A. Houlton, 2013, Inorganic chemistry.

High Electrical Conductivity of Single Metal–Organic Chains

J. Soler, J. Gómez‐Herrero, J. Palacios, 2018, Advanced materials.

Trends in the structure and bonding of noble metal clusters

J. Soler, E. M. Fernández, I. L. Garzón, 2004 .

Flexibility in a metal-organic framework material controlled by weak dispersion forces: the bistability of MIL-53(Al).

J. Soler, J. Gale, F. Corà, 2010, Angewandte Chemie.

SINGLE CHAINS OF A ONE-DIMENSIONAL COORDINATION POLYMER

J. Pablo, J. Soler, J. Gómez‐Herrero, 2005 .

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

D. Sánchez-Portal, J. Soler, E. Artacho, 2004 .

Interplay between theory and experiment insolid state inorganic chemistry

D. Sánchez-Portal, J. Soler, E. Artacho, 2001 .

Comparative modeling of an in situ diffusion experiment in granite at the Grimsel Test Site.

Vaclava Havlova, Yukio Tachi, Jost Eikenberg, 2015, Journal of contaminant hydrology.

Defect energetics in aluminium

J. Soler, P. Denteneer, 1991 .

The SIESTA method; developments and applicability

Emilio Artacho, J M Pruneda, J. M. Pruneda, 2008, Journal of physics. Condensed matter : an Institute of Physics journal.

LINEAR-SCALING AB-INITIO CALCULATIONS FOR LARGE AND COMPLEX SYSTEMS

D. Sánchez-Portal, J. Soler, E. Artacho, 1999, cond-mat/9904159.

Evaporation of small clusters of noble gases by ionization

J. Sáenz, J. Soler, N. García, 1985 .

Evaporation of clusters during free flight after homogeneous nucleation in nozzle expansion

J. Soler, José M. Soler, N. García, 1983 .

Nonequilibrium internal and translational temperature of clusters in homogeneous nucleation

J. Soler, N. García, 1983 .

The effect of ionization on magic numbers of rare-gas clusters

Olof Echt, J. Sáenz, O. Echt, 1984 .

Monte Carlo and molecular dynamics studies of microclusters

J. Sáenz, J. Soler, N. García, 1985 .

Critical analysis of the response function in low-dimensional materials

J. Soler, F. Yndurain, Sara G Mayo, 2020, Journal of physics. Condensed matter : an Institute of Physics journal.

How much quantitative information may be expected from programmed desorption experiments

J. Soler, 1983 .

Structure and Stability of an Amorphous Metal

J. Soler, O. R. D. L. Fuente, 1998, cond-mat/9809418.

Recovering hidden Bloch character: Unfolding electrons, phonons, and slabs

J. Soler, P. B. Allen, D. Casavant, 2012, 1212.5702.

Image-Plane Position Dependence on Metal Crystallographic Face

J. Soler, N. García, P. Serena, 1989 .

Tunneling current through localized surface states

Ricardo Garcia, Juan José Sáenz, J. Sáenz, 1987 .

Lowest Energy Structures of Gold Nanoclusters

D. Sánchez-Portal, J. Soler, E. Artacho, 1998 .

Dispersion interactions in room-temperature ionic liquids: results from a non-empirical density functional.

J. Soler, E. Artacho, J. Kohanoff, 2011, The Journal of chemical physics.

Tip and surface determination from experiments and simulations of scanning tunneling microscopy and spectroscopy.

J. Soler, I. Brihuega, J. Gómez‐Rodríguez, 2004, Physical Review Letters.

Efficient and reliable method for the simulation of scanning tunneling images and spectra with local basis sets

J. Soler, O. Paz, 2006, cond-mat/0604540.

Atmospheric contaminants on graphitic surfaces

J. Soler, J. Gómez‐Herrero, D. Martínez-Martín, 2013 .

Intrinsic electrical conductivity of nanostructured metal-organic polymer chains

Julio Gómez-Herrero, Carlos J. Gómez-García, J. Soler, 2013, Nature Communications.

Author's personal copy Atmospheric contaminants on graphitic surfaces

J. Soler, J. Gómez‐Herrero, J. Gómez‐Rodríguez, 2013 .

Tip and surface determination from experiments and simulations of scanning tunneling microscopy and spectroscopy.

J. Soler, I. Brihuega, J. Gómez‐Rodríguez, 2004, Physical review letters.

Seeing molecular orbitals

D. Sánchez-Portal, J. Soler, E. Artacho, 2000 .

Formation of gold nanowires with impurities: a first-principles molecular dynamics simulation.

J. Soler, F. Yndurain, J. A. Torres, 2007, Physical review letters.

Optimal finite-range atomic basis sets for liquid water and ice

Fabiano Corsetti, Emilio Artacho, J. Soler, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Ab initio calculations and scanning tunneling microscopy experiments of the Si(111)-((7)×(3))-Pb surface

J. Soler, E. Artacho, O. Custance, 2002 .

Anomalous nuclear quantum effects in ice.

C P Herrero, J. Soler, P. B. Allen, 2011, Physical review letters.

Order-N and embedded-cluster first-principles DFT calculations using SIESTA/Mosaico

J. Soler, L. Seijo, Z. Barandiarán, 2007 .

ELECTRONIC STATES IN A FINITE CARBON NANOTUBE : A ONE-DIMENSIONAL QUANTUM BOX

D. Sánchez-Portal, J. Soler, E. Artacho, 1999 .

Stiff Monatomic Gold Wires with a Spinning Zigzag Geometry

D. Sánchez-Portal, J. Soler, E. Artacho, 1999, cond-mat/9905225.

Zigzag equilibrium structure in monatomic wires

D. Sánchez-Portal, J. Soler, E. Artacho, 2000, cond-mat/0010501.

Comment on "Magnetism in atomic-size palladium contacts and nanowires".

J. Soler, F. Yndurain, M. Mattesini, 2006, Physical review letters.

The puzzling stability of monatomic gold wires

A. D. Corso, J. Soler, E. Tosatti, 1998, cond-mat/9812369.

Siesta: Recent developments and applications.

Victor Wen-zhe Yu, Volker Blum, Roberto Robles, 2020, The Journal of chemical physics.

First principles calculation of the geometric and electronic structure of (Al2O3)n(Ox) clusters with n<15 and x=0, 1, 2

J. Soler, E. M. Fernández, G. Borstel, 2003 .

A computational exploration of cation locations in high- silica Ca-Chabazite

J. Soler, E. Artacho, J. Gale, 2000 .

Azafullerene-like nanosized clusters.

J. Soler, J. Gómez‐Herrero, J. Martín-Gago, 2009, ACS nano.

Dynamics and mission design near libration points, advanced methods for collinear points

Gerard Gómez, Àngel Jorba, Josep Masdemont Soler, 2000 .

Band unfolding made simple

Felix Yndurain, J. Soler, F. Yndurain, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Single adatom adsorption and diffusion on Si ( 111 ) − ( 7 × 7 ) surfaces: Scanning tunneling microscopy and first-principles calculations

J. Soler, E. Artacho, O. Custance, 2003 .

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

R. Martin, D. Sánchez-Portal, J. Soler, 2000, cond-mat/0010500.

Absence of dc-conductivity in lambda-DNA.

E Artacho, A M Baró, J. Soler, 2000, Physical review letters.

Application of local-spin-density approximation to a-Si and tetrahedral a-C

David Alan Drabold, D. Sánchez-Portal, J. Soler, 1999 .

The CECAM electronic structure library and the modular software development paradigm.

David A. Strubbe, Stefano de Gironcoli, Yingzhou Li, 2020, The Journal of chemical physics.

Commodity Valoration

J. Soler, 2015 .

Structural patterns of unsupported gold clusters

J. Joannopoulos, J. Soler, I. L. Garzón, 2001 .

Atom scattering by soft-potential surfaces with one-rayleigh-phonon exchange

J. Soler, N. García, 1983 .

Magic numbers for positively charged rare-gas clusters

J. Sáenz, J. Soler, N. García, 1985 .

Small polarons in dry DNA.

J. Soler, E. Artacho, S. Alexandre, 2003, Physical review letters.

Electrons in dry DNA from density functional calculations

D. Sánchez-Portal, J. Soler, E. Artacho, 2002, cond-mat/0209563.

Stability and electronic structure of M-DNA: Role of metal position

J. Soler, F. Zamora, S. Alexandre, 2011 .

From Coordination Polymer Macrocrystals to Nanometric Individual Chains

J. Soler, J. Gómez‐Herrero, F. Zamora, 2005 .

Electronic Structure Calculations with Localized Orbitals: The Siesta Method

R. Martin, D. Sánchez-Portal, J. Soler, 2005 .

Metallic bonding and cluster structure

D. Sánchez-Portal, J. Soler, E. Artacho, 2000 .

Ab initio study of metal-organic framework-5 Zn{sub 4}O(1,4-benzenedicarboxylate){sub 3}: An assessment of mechanical and spectroscopic properties

Felix Yndurain, Maurizio Mattesini, J. Soler, 2006 .

Room temperature compressibility and diffusivity of liquid water from first principles.

Fabiano Corsetti, Emilio Artacho, J. Soler, 2013, The Journal of chemical physics.

Energetics and dynamics of H(2) adsorbed in a nanoporous material at low temperature.

D. Langreth, J. Soler, Lingzhu Kong, 2009, Physical review letters.

Energetics of the oxidation and opening of a carbon nanotube

D. Sánchez-Portal, J. Soler, E. Artacho, 1999, cond-mat/9905419.

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

D. Sánchez-Portal, J. Soler, E. Artacho, 2000 .

Energetics of point and planar defects in aluminium from first-principles calculations

J. Soler, P. Denteneer, 1991 .

A chain-of-states acceleration method for the efficient location of minimum energy paths.

E R Hernández, C P Herrero, J M Soler, 2015, The Journal of chemical physics.

Linear Scaling DFT Calculations with Numerical Atomic Orbitals

D. Sánchez-Portal, J. Soler, E. Artacho, 2001 .

The scattering map in the spatial Hill's problem

J. Soler, A. Valdés, Pablo Roldán González, 2006 .

SELF-CONSISTENT DENSITY-FUNCTIONAL CALCULATIONS OF THE GEOMETRIES, ELECTRONIC STRUCTURES, AND MAGNETIC MOMENTS OF NI-AL CLUSTERS

M. Alemany, D. Sánchez-Portal, J. Soler, 1999 .

Diffusion of atoms on Au(111) by the electric field gradient in scanning tunneling microscopy

J. Sáenz, J. Soler, J. Gómez‐Herrero, 1996 .

Do thiols merely passivate gold nanoclusters?

Soler, D. Sánchez-Portal, J. Soler, 2000, Physical review letters.

Dynamic Mechanisms for Spacecraft Disposal from Sun–Earth Libration Points

Gerard Gómez Muntané, Josep Masdemont Soler, Zubin Olikara, 2015 .

End-of-life disposal of libration point orbit spacecraft

G. Muntané, J. Soler, Z. Olikara, 2013 .

Large finite-size effect on the critical temperature of adsorbed layers: Xe on Pd [8(100)×(110)]

J. Sáenz, R. Miranda, J. Soler, 1984 .

Hybrid DNA-gold nanostructured materials: an ab initio approach

D. Sánchez-Portal, J. Soler, E. Artacho, 2001 .

Self-consistent order-N density-functional calculations for very large systems.

Soler, J. Soler, E. Artacho, 1996, Physical review. B, Condensed matter.

Adsorption and electronic properties of PTCDA molecules on Si(111)-(7×7) : Scanning tunneling microscopy and first-principles calculations

J. Soler, J. Gómez‐Rodríguez, A. Baró, 2010 .

Optimal Fourier filtering of a function that is strictly confined within a sphere

José M. Soler, Eduardo Anglada, J. Soler, 2008, Comput. Phys. Commun..

Dislocation formation from a surface step in semiconductors: An ab initio study

J. Soler, J. Godet, L. Pizzagalli, 2006, 0709.1579.

A Theoretical Study of Dislocation Formation at Surfaces in Covalent Materials: Effect of Step Geometry and Reactivity

J. Soler, J. Godet, L. Pizzagalli, 2005 .

Efficient mixed-force first-principles molecular dynamics.

J. Soler, J. Junquera, Eduardo Anglada, 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.

Electronic Structure Calculations with Localized Orbitals: The Siesta Method

R. Martin, D. Sánchez-Portal, J. Soler, 2005 .

Trends in the structure and bonding of neutral and charged noble metal clusters

J. Soler, E. M. Fernández, L. Balbás, 2005 .

Homoclinic and heteroclinic transfer trajectories between Lyapunov orbits in the Sun-Earth and Earth-Moon systems

J. Soler, Elisabet Canalias Vila, 2004 .

Structure and thermal stability of gold nanoclusters: The Au38 case

D. Sánchez-Portal, J. Soler, E. Artacho, 1999 .

Room temperature compressibility and diffusivity of liquid water from first principles.

J. Soler, E. Artacho, M. Fernández-Serra, 2013, The Journal of chemical physics.

Band unfolding made simple

J. Soler, F. Yndurain, Sara G Mayo, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Nanocontacts: probing electronic structure under extreme uniaxial strains

J. Sáenz, D. Sánchez-Portal, J. Soler, 1997 .

A note on the dynamics around the L1,2 Lagrange points of the Earth-Moon system in a complete solar system model

G. Muntané, J. Soler, G. Tang, 2012 .

Impulsive transfers between lissajous libration point orbits

J. Soler, Elisabet Canalias Vila, J. C. Lucas, 2003 .

Dynamics in the centre manifold around equilibrium points in periodically perturbed three-body problems

G. Muntané, J. Soler, B. L. Bihan, 2016 .

Methodology and estimation costs for proximity maneuvering spacecraft formations in the vicinity of libration points

J. Soler, Laura Taberner, 2012 .

High Electrical Conductivity of Single Metal–Organic Chains

J. Soler, J. Gómez‐Herrero, J. Palacios, 2018, Advanced materials.