Publications Jose M. Soler 

  1. "Resonance line shapes for He diffraction and determination of surface profile for Ni(110) + (1x2) H". J. M. Soler, V. Celli, N. Garcia, K. H. Rieder and T. Engel, Surf. Sci. 108 (1981) 1-6.
  2. "Monte Carlo calculation of argon clusters in homogeneous nucleation", N. Garcia-Garcia and J. M. Soler-Torroja, Phys. Rev. Lett. 47 (1981) 186-190.
  3. "Alternative exact method for random walks on finite and periodic lattices with traps", J. M. Soler, Phys. Rev. B 26 (1982) 1067-1070 (Rapid Communications).
  4. "Microcluster growth: transition from monomer addition to coagulation", J. M. Soler, N. Garcia, O. Echt, K. Sattler and E. Recknagel, Phys. Rev. Lett. 49 (1982) 1857-1860.
  5. "Random distribution of islands explains the oscillatory intensity in He / Si(111) (7x7)", N. Garcia and J. M. Soler, Surf. Sci. 122 (1982) 535-540.
  6. "How much quantitative information may be expected from programmed desorption experiments?", J. M. Soler and N. Garcia, Surf. Sci. 124 (1983) 563-570.
  7. "Atom scattering by soft-potential surfaces with one-Rayleigh-phonon exchange", N. Garcia and J. M. Soler, Surf. Sci. 126 (1983) 689-694.
  8. "Nonequilibrium internal and translational temperature of clusters in homogeneous nucleation", J. M. Soler and N. Garcia, Phys. Rev. A 27 (1983) 3300-3306.
  9. "Evaporation of clusters during free flight after homogeneous nucleation in nozzle expansions", J. M. Soler and N. Garcia, Phys. Rev. A 27 (1983) 3307-3310.
  10. "Electron-metal surface interaction potential with vacuum tunneling: Observation of the image force", G. Binnig, N. Garcia, H. Rohrer, J. M. Soler and F. Flores, Phys. Rev. B 30 (1984) 4816-4818.
  11. "Thermodynamics of the roughening transition of stepped surfaces", N. Cabrera, J. M. Soler, J. J. Saenz, N. Garcia y R. Miranda, Physica B & C 127 (1984) 175-179.
  12. "The effect of ionization on magic numbers of rare gas clusters", J. M. Soler, J. J. Saenz, N. Garcia and O. Echt, Chem. Phys. Lett. 109 (1984) 71-75.
  13. "Large finite size effect on the critical temperature of adsorbed layers: Xe / Pd 8(100)x(110)", J. M. Soler, N. Garcia, R. Miranda, N. Cabrera y J. J. Saenz, Phys. Rev. Lett. 53 (1984) 822-825.
  14. "Magic numbers for positively charged rare gas clusters", J. J. Saenz, J. M. Soler and N. Garcia, Chem. Phys. Lett. 114 (1985) 15-18.
  15. "Monte Carlo and molecular dynamics studies of microclusters", J. M. Soler, J. J. Saenz and N. Garcia, Advances in Solid State Phys. XXV (1985) 143-150.
  16. "Evaporation of small clusters of noble gases by ionization", J. J. Saenz, J. M. Soler and N. Garcia, Surf. Sci. 156 (1985) 121-125.
  17. "Distance-voltage characteristics in scanning tunneling microscopy", R. Garcia, J. J. Saenz, J. M. Soler and N. Garcia, J. Phys. C: Solid State Phys. 19 (1986) L131-L134.
  18. "Dissociation channels for multiply charged clusters", D. Kreisle, O. Echt, M. Knapp, E. Recknagel, K. Leiter, T.D.Mark, J. J. Saenz and J. M. Soler, Phys. Rev. Lett. 56 (1986) 1551-1554.
  19. "Interatomic forces in Scanning Tunneling Microscopy: giant corrugations of the graphite surface", J. M. Soler, A. M. Baro, N. Garcia and H. Rohrer, Phys. Rev. Lett. 57 (1986) 444-447.
  20. "Self consistent image potential in a metal surface". P. A. Serena, J. M. Soler and N. Garcia. Phys. Rev. B 34 (1986) 6767-6769.
  21. "Tunneling current through localized surface states". R. Garcia, J. J. Saenz, J. M. Soler and N. Garcia, Surface Science 181 (1987) 69-77.
  22. "Work function of metals upon alkali adsorption: overlayer relaxation", P. A. Serena, J. M. Soler, N. Garcia and I. P. Batra, Phys. Rev. B 36 (1987) 3452-3455.
  23. "Work function and image-plane position of metal surfaces", P. A. Serena, J. M. Soler and N. Garcia, Phys. Rev. B 37 (1988) 8701-8706
  24. "Coulomb fragmentation of doubly ionized molecular clusters", R. Casero, J. J. Saenz and J. M. Soler, Phys. Rev. A 37 (1988) 1401-1405
  25. "Dissociation channels of multiply charged Van der Waals clusters", O. Echt, D.Kreisle, E. Recknagel, J. J. Saenz, R.Casero y J. M. Soler, Phys. Rev. A 38 (1988) 3236-3248
  26. "Image-plane position dependence on metal crystallographic face", P. A. Serena, J. M. Soler and N. Garcia, Europhysics Lett. 8 (1989) 185-188
  27. "Electronic and atomic structure of Na, Mg, Al and Pb clusters", M. P. Iñiguez, M. J. Lopez, J. A. Alonso and J. M. Soler, Z. Phys. D 11 (1989) 163-174
  28. "Simple formula for the atomic forces in the augmented-plane-waves method", J. M. Soler and A. R. Williams, Phys. Rev. B 40 (1989) 1560-1564
  29. "Augmented-Plane-Wave forces", J. M. Soler and A. R. Williams, Phys. Rev. B (Rapid Comm.) 42 (1990) 9728-9731
  30. "Energetics of point and planar defects in Aluminium from first-principles calculations", P. J. H. Denteneer and J. M. Soler, Solid State Comm. 78 (1991) 857-861
  31. "Onset and evolution of magic numbers in mass spectra of molecular clusters", R. Casero and J. M. Soler, J. Chem. Phys. 95 (1991) 2927-2935
  32. "Defect energetics in aluminium", P. J. H. Denteneer and J. M. Soler, J. Phys.: Condens. Matter 3 (1991) 8777-8792
  33. "Comment on: Theory of Ideal Metals", J. M. Soler, Phys. Rev. Lett. 67 (1991) 3044
  34. "Optimal meshes for integrals in real and reciprocal space unit cells", J. Moreno and J. M. Soler, Phys. Rev. B, 45, (1992) 13891-13898
  35. "Comment on `All-electron and pseudopotential force calculations using the linearized-augmented-plane-wave method'", J. M. Soler and A. R. Williams, Phys. Rev. B, 47, (1993) 6784-6786
  36. "Augmented-plane-wave calculations on small molecules", P. A. Serena, A. Baratoff and J. M. Soler, Phys. Rev. B, 48, (1993) 2046-2056
  37. "Monte Carlo simulation of cluster diffusion in a triangular lattice", J. M. Soler, Phys. Rev. B, 50, (1994) 5578-5581
  38. "On the calculation of atomic forces using the linearized-augmented-plane-wave method", H. G. Krimmel, J. Ehmann, C. Elsässer, M. Fähnle y J. M. Soler, Phys. Rev. B, 50, (1994) 8846-8850
  39. "Physical parameters that control the imaging of purple membranes with the scanning tunneling microscope", R. Garcia, J. Tamayo, J. M. Soler and C. Bustamante, Langmuir, 11, (1995) 2109-2114
  40. "Projection of Plane-Wave Calculations into Atomic Orbitals", D. Sanchez-Portal, E. Artacho and J. M. Soler, Solid State Commun. , 95, (1995) 685-690
  41. "Mixed approach to incorporate self-consistency into order-N LCAO methods" Pablo Ordejon, Emilio Artacho and Jose M. Soler, Mat. Res. Soc. Symp. Proc. 408, (1996) 85-90
  42. "Diffusion of atoms on Au(111) by the electric field gradient in scanning tunneling microscopy", J. Mendez, J. Gomez-Herrero, J. I. Pascual, J. J. Saenz, J. M. Soler and A. M. Baro, J. Vac. Sci. Technol. B 14, Mar/Apr (1996) 1145-1148
  43. "Selfconsistent order-N density-functional calculations for very large systems", P. Ordejon, E. Artacho and J. M. Soler, Phys. Rev. B (Rapid Comm.), 53, (1996) 10441-10444
  44. "Cluster diffusion by evaporation-condensation", J. M. Soler, Phys. Rev. B (Rapid Comm.), 53, (1996) 10540-10543
  45. "Analysis of atomic-orbital basis sets from the projection of plane-wave results", D. Sanchez-Portal, E. Artacho and J. M. Soler, J. Phys.: Condens. Matter, 8, (1996) 3859-3880
  46. "Density-Functional Method for Very Large Systems with LCAO Basis Sets", D. Sanchez-Portal, P. Ordejon, E. Artacho and J. M. Soler, Int. J. Quantum Chem. 65, (1997) 453-461
  47. "Nanocontacts: Probing Electronic Structure under Extreme Uniaxial Strains", D. Sanchez-Portal, C. Undiedt, J. M. Soler, J. J. Saenz and N. Agraït, Phys. Rev. Lett. 79, (1997) 4198-4201
  48. "Lowest Energy Structures of Gold Nanoclusters", I. L. Garzon, K. Michaelian, M. R. Beltran, A. Posada-Amarillas, P. Ordejon, E. Artacho, D. Sanchez-Portal, and J. M. Soler, Phys. Rev. Lett. 81, (1998) 1600-1603
  49. "Structure and Stability of an Amorphous Metal", O. Rodriguez de la Fuente and J. M. Soler, Phys. Rev. Lett. 81, (1998) 3159-3162
  50. "Electronic structure under extreme uniaxial strains: conductance in metallic nanocontacs", D. Sanchez-Portal, C. Undiedt, J. M. Soler, J. J. Saenz and N. Agraït, Mat. Res. Soc. Symp. Proc., Vol. 499, (1998) 173-178
  51. "Electronic States in a Finite Carbon Nanotube: a One-Dimensional Quantum Box", A. Rubio, D. Sanchez-Portal, E. Artacho, P. Ordejon, and J. M. Soler, Phys. Rev. Lett. 82, (1999) 3520-3523
  52. "Ab-initio structural, elastic, and vibrational properties of carbon nanotubes", D. Sanchez-Portal, E. Artacho, J. M. Soler, A. Rubio, and P. Ordejon, Phys. Rev. B 59 (1999) 12678-12688
  53. "Self-consistent density-functional calculations of the geometries, electronic structures and magnetic moments of Ni-Al clusters", M. Calleja, C. Rey, M.M.G. Alemany, L.J. Gallego, P. Ordejon, D. Sanchez-Portal, E. Artacho, and J.M. Soler, Phys. Rev. B. 60 (1999) 2020-2024
  54. "Energetics of the Oxidation and Opening of a Carbon Nanotube", M. S. C. Mazzoni, H. Chachan, P. Ordejon, D. Sanchez-Portal, J. M. Soler, and E. Artacho, Phys. Rev. B 60, (1999) R2208-R2211
  55. "Bonding and diffusion of Ba on a Si(001) reconstructed surface", J. Wang, J. A. Hallmark, D. S. Marshall. W. J. Oonms, P. Ordejon, J. Junquera, D. Sanchez-Portal, E.Artacho, and J. M. Soler, Phys. Rev. B 60, (1999) 4968-4971
  56. "Linear-scaling ab-initio calculations for large and complex systems", E. Artacho, D. Sanchez-Portal, P. Ordejon, A. Garcia, and J. M. Soler, Phys. Stat. Sol. (b) 215 (1999) 809-817
  57. "Application of local-spin-density approximation to a-Si and tetrahedral a-C", P. A. Fedders, D. A. Drabold, P. Ordejon, G. Fabricius, D. Sanchez-Portal, E. Artacho and J. M. Soler, Phys. Rev. B 60, (1999) 10594-10597
  58. "Stiff monatomic gold wires with a spinning zigzag geometry", D. Sanchez-Portal, E. Artacho, J. Junquera, P. Ordejon, A. Garcia, and J. M. Soler, Phys. Rev. Lett. 83 (1999) 3884-3887
  59. "Atomic Layering at the Liquid Silicon Surface: a First-Principles Simulation", G. Fabricius, E. Artacho, D. Sanchez-Portal, P. Ordejon, D. A. Drabold and J. M. Soler, Phys. Rev. B 60, (1999) R16283-R16286
  60. "Structure and stability of gold nanoclusters: The Au_38 case", I. L. Garzon, K. Michaelian, M. R. Beltran, A. Posada-Amarillas, P. Ordejon, E. Artacho, D. Sanchez-Portal, and J. M. Soler, European Physics Journal D 9 (1999) 211-215
  61. "The Puzzling Stability of Monatomic Gold Wires", J. A. Torres, E. Tosatti, A. Dal Corso, F. Ercolessi, J. Kohanoff, F. Di Tolla, and J. M. Soler, Surface Science 426, (1999) L441-L446; em ibid 463, (2000) 211-213
  62. "Metallic bonding and cluster structure", J. M. Soler, M. R. Beltran, K. Michaelian, I. L. Garzon, P. Ordejon, D. Sanchez-Portal, and E. Artacho, Phys. Rev. B 61, (2000) 5771-5780
  63. "Seeing molecular orbitals", J. I. Pascual, J. Gomez-Herrero, A. M. Baro, D. Sanchez-Portal, E. Artacho, P. Ordejon and J. M. Soler, Chem. Phys. Lett. 321 (2000) 78-82
  64. "Systematic ab-initio study of the electronic and magnetic properties of different pure and mixed iron systems", J. Izquierdo, A. Vega, L.C. Balbas, D. Sanchez-Portal, J. Junquera, E. Artacho, J. M. Soler, and P. Ordejon, Phys. Rev. B 61 (2000) 13639-13648
  65. "Large scale DFT calculations with SIESTA", P. Ordejón, D. Sanchez-Portal, A. Garcia, E. Artacho, J. Junquera, and J. M. Soler, RIKEN Review 29 (2000) 42-44
  66. "Comment: Identifying Molecular Orientation of Individual C_60 on a Si(111)-7x7 Surface", J. I. Pascual, J. Gomez-Herrero, A. M. Baro, D. Sanchez-Portal, E. Artacho, P. Ordejon, and J. M. Soler, Phys. Rev. Lett. 85 (2000) 2653
  67. "Absence of conductivity in lambda-DNA", P. J. de Pablo, F. Moreno-Herrero, J. Colchero, J. Gómez Herrero, P. Herrero, A. M. Baró, P. Ordejón, J. M. Soler, and E. Artacho, Phys. Rev. Lett. 85 (2000) 4992-4995
  68. "Comment: Do Thiols Merely Passivate Gold Nanoclusters?", I.L. Garzon, K. Michaelian, M.R. Beltran, P. Ordejon, D. Sanchez-Portal, E. Artacho, and J. M. Soler, Phys. Rev. Lett. 85 (2000) 5250-5251
  69. "The structure and dynamics of crystalline durene by neutron scattering and numerical modelling using density functional methods", M. Plazanet, M. R. Johnson, J. D. Gale, T. Yildirim, G. J. Kearley, M. T. Fernandez-Diaz, D. Sanchez-Portal, E. Artacho, J. M. Soler, P. Ordejon, A. Garcia, y H. P. Trommsdorff, Chem. Phys. 261 (2000) 189-203
  70. "A computational exploration of cation locations in high-silica Ca-Chabazite", T. Grey, J. Gale, D. Nicholson, E. Artacho, and J. M. Soler, Studies in Surface Science and Catalysis 128 (2000) 89-98
  71. "Interplay between theory and experiment in solid state inorganic chemistry", E. Canadell, P. Ordejon, E. Artacho, D. Sanchez-Portal, A. Garcia, and J. M. Soler, J. Mater. Chem. 11 (2001) 1-10
  72. "Structural patterns of unsupported gold clusters", J. M. Soler, I. L. Garzon, and J. D. Joannopoulos, Solid State Comm. 117 (2001) 621-625
  73. "First principles study of the adsorption of C_60 on Si(111)", D. Sanchez-Portal, E. Artacho, J. I. Pascual, J. Gomez-Herrero, R. M. Martin, and J. M. Soler, Surface Science 482-485 (2001) 39-43
  74. "Zigzag equilibrium structure in monatomic wires", D. Sanchez-Portal, E. Artacho, J. Junquera, A. Garcia, and J. M. Soler, Surface Science 482-485 (2001) 1261-1265
  75. "Surface layering and local structure in liquid surfaces", J. M. Soler, G. Fabricius, and E. Artacho, Surface Science 482-485 (2001) 1314-1318
  76. "Hybrid DNA-Gold Nanostructured Materials: An Ab Initio Approach", I. L. Garzon, E. Artacho, M. R. Beltran, A. Garcia, J. Junquera, K. Michaelian, P. Ordejon, D. Sanchez-Portal, and J. M. Soler, Nanotechnology 12 (2001) 126-131
  77. "Evaluation of Exchange-Correlation Energy, Potential, and Stress", L. C. Balbas, J. L. Martins, and J. M. Soler, Phys. Rev. B 64 (2001) 165110.1-7
  78. "Variational finite-difference representation of the kinetic energy operator", P. Maragakis, J. M. Soler, and E. Kaxiras, Phys. Rev. B, 64 (2001) 193101.1-4
  79. "Linear scaling DFT calculations with numerical atomic orbitals", P. Ordejon, E. Artacho, R. Cachau, J. Gale, A. Garcia, J. Junquera, J. Kohanoff, M. Machado, D. Sanchez-Portal, J. M. Soler, and R. Weht, Mat. Res. Soc. Symp. Proc. 677 (2001) AA9.6.1-12
  80. "First principles pseudopotential calculation of the magnetic properties of low-dimensional iron systems", J. Izquierdo, A. Vega, L. C. Balbas, P. Ordejon, D. Sanchez-Portal, E. Artacho, and J. M. Soler, Recent Advances in Density Functional Methods (Part III), Eds. V. Barone, A. Bencini and G. C. Fantucci, World Scientific, London (2002) 205-223
  81. "The SIESTA method for ab initio order-N materials simulation", J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Physics: Condensed Matter 14 (2002) 2745-2779
  82. "First-principles simulations of atomic structure and magnetism in Fe nanoparticles", A. V. Postnikov, P. Entel, and J. M. Soler, Mat. Res. Soc. Symp. Proc. 704 (2002) W8.9.1-6
  83. "Ab initio calculations and scanning tunneling microscopy experiments of the Si(111)-Pb surface", S. Brochard, E. Artacho, O. Custance, I. Brihuega, A. M. Baro, J. M. Soler, and J. M. Gomez-Rodriguez, Phys. Rev. B 66 (2002) 205403.1-9
  84. "Systematic generation of finite-range atomic basis sets for linear-scaling calculations", E. Anglada, J. M. Soler, J. Junquera, and E. Artacho, Phys. Rev. B 66 (2002) 205101.1-4
  85. "Model Hessian for accelerating first-principles structure optimizations", M. V. Fernandez-Serra, E. Artacho, and J. M. Soler, Phys. Rev. B 67 (2003) 100101.1-4. Also appearing in Virtual J. Biol. Phys. Res. 5 (6)
  86. "First principles calculation of the geometry and electronic structure of (Al_2 O_3)_n (O_x) clusters with n < 15 and x=0,1,2", E. M. Fernandez, L. C. Balbas, G. Borstel, and J. M. Soler, Thin Solid Films, 428 (2003) 206-210
  87. "Electrons in Dry DNA from Density Functional Calculations", E. Artacho, M. Machado, D. Sanchez-Portal, P. Ordejon, and J. M. Soler, Molecular Physics 101 (2003) 1587-1594
  88. "Single Adatom Adsorption and Diffusion on Si(111)-(7x7) Surfaces: Scanning Tunneling Microscopy and First-Principle Calculations", O. Custance, S. Brochard, I. Brihuega, E. Artacho, J. M. Soler, A. M. Baro, and J. M. Gomez-Rodriguez, Phys. Rev. B 67 (2003) 235410.1-4
  89. "Study of (Al_2 O_3)_n (O_x) clusters with n <= 16 and x=0,1,2 from first principles calculations", E. M. Fernandez, G. Borstel, J. M. Soler, and L. C. Balbas, European Physical Journal D 24 (2003) 245-248
  90. "Density functional simulation of small Fe nanoparticles", A. V. Postnikov, P. Entel, and J. M. Soler, European Physics Journal D 25 (2003) 261-270
  91. "Small polarons in dry DNA", S. S. Alexandre, E. Artacho, J. M. Soler, and H. Chacham, Phys. Rev. Lett. 91 (2003) 108105-108108
  92. "Molecular dynamics simulations of nanotube growth", E. Hernandez, P. Ordejon, E. Canadell, J. Junquera, and J. M. Soler Proceedings of the NATO ARW on Low Dimensional systems: theory, preparation and some applications, celebrated in Poznan (Poland); L. M. Liz-Marzan and M. Giersig (Editors) (Dordrecht 2003) ISBN1-4020-1168-7
  93. "Efficient mixed-force first-principles molecular dynamics", E. Anglada, J. Junquera, and J. M. Soler. Phys. Rev. E 68 (2003) 055701.1-4
  94. "Simulations of minerals using density functional theory based on atomic orbitals for linear scaling", M. Craig, M. C. Warren, M. T. Dove, J. D. Gale, D. Sanchez-Portal, P. Ordejon, J. M. Soler, and E. Artacho. Phys. Chem. Minerals 31 (2004) 12-21
  95. "Exchange and correlation as a functional of the local density of states", J. M. Soler, Phys. Rev. B 69 (2004) 195101.1-5
  96. "Trends in the structure and bonding of noble metal clusters", E. M. Fernandez, J. M. Soler, I. L. Garzon, and L. C. Balbas, Phys. Rev. B 70 (2004) 165403.1-14
  97. "Tip and Surface Determination from Experiments and Simulations of Scanning Tunneling Microscopy and Spectroscopy", O. Paz, I. Brihuega, J. M. Gómez-Rodríguez, and J. M. Soler, Phys. Rev. Lett. 94 (2005) 056103.1-4
  98. "Trends in the structure and bonding of neutral and charged noble metal clusters", E. M. Fernandez, J. M. Soler, I. L. Garzon, and L. C. Balbas, Int. J. Quantum Chem. 101 (2005) 740-745
  99. "From coordination polymer macrocrystals to nanometric individual chains", D. Olea, S. S. Alexandre, P. Amo-Ochoa, A. Guijarro, F. de Jesus, J. M. Soler, P. J. de Pablo, F. Zamora, and J. Gomez-Herrero, Advanced Materials, 17 (2005) 1761-1765
  100. "A theoretical study of dislocation formation at surfaces in covalent materials: effect of step geometry and reactivity", S. Brochard, J. Godet, L. Pizzagalli, P. Beauchamp and J. Soler, Solid State Phenomena 108-109 (2005) 193-198
  101. "Strain-dependence of the electronic properties in periodic quadruple helical G4-wires", R. Di Felice, A. Calzolari, A. Garbesi, S. S. Alexandre, and J. M. Soler, J. Phys. Chem. B 109 (2005) 22301-22307
  102. "Comment on `Magnetism in Atomic-Size Palladium Contacts and Nanowires"', S. S. Alexandre, M. Mattesini, J. M. Soler, and F. Yndurain, Phys. Rev. Lett. 96 (2006) 079701
  103. "Efficient and reliable method for the simulation of scanning tunneling images and spectra with local basis sets" O. Paz and J. M. Soler, Phys. Stat. Sol. (b) 243 (2006) 1080-1094
  104. "Dislocation formation from a surface step in semiconductors: An ab initio study", J. Godet, S. Brochard, L. Pizzagalli, P. Beauchamp, and J. M. Soler, Phys. Rev. B 73 (2006) 092105
  105. "Ab initio study of metal-organic framework-5 Zn_4 O(1,4-benzenedicarboxylate)_3: An assessment of mechanical and spectroscopic properties", M. Mattesini, J. M. Soler, and F. Yndurain, Phys. Rev. B 73 (2006) 094111
  106. "Filtering a distribution simultaneously in real and Fourier space", E. Anglada and J. M. Soler. Phys. Rev. B 73 (2006) 115122
  107. "Efficient and reliable method for the simulation of scanning tunneling images and spectra with local basis sets ", O. Paz and J. M. Soler Phys. Status Solidi B 243 (2006) 1080-1094
  108. "Geometry and electronic structure of M-DNA (M=Zn^2+, Co^2+, and Fe^2+)", S. S. Alexandre, J. M. Soler, L. Seijo, and F. Zamora. Phys. Rev. B 73 (2006) 205112
  109. "Magnetism of two-dimensional defects in Pd: Stacking faults, twin boundaries, and surfaces'', S. S. Alexandre, E. Anglada, J. M. Soler and F. Yndurain, Phys. Rev. B 74 (2006) 054405
  110. "On planar and cage-like structures of gold clusters'', E. Fernandez, J. M. Soler, and L. C. Balbas, Phys. Rev. B 73 (2006) 235433
  111. "Formation of gold nanowires with impurities: A first principles molecular dynamics simulation'', E. Anglada, J. A. Torres, F. Yndurain and J. M. Soler, Phys. Rev. Lett. 98 (2007) 096102
  112. "Separating the articles of authors with the same name'', J. M. Soler, Scientometrics, 72 (2007) 281-290
  113. "A rational indicator of scientific creativity'', J. M. Soler, Journal of Informetrics 1 (2007) 123-130
  114. "Design of molecular wires based on one-dimensional coordination polymers'', S. S. Alexandre, J. M. Soler, P. J. Sanz Miguel, R. W. Nunes, F. Yndurain, J. Gomez-Herrero, and F. Zamora'', Appl. Phys. Lett. 90 (2007) 193107
  115. "The SIESTA method; developments and applicability'', E. Artacho, E. Anglada, O. Diéguez, J. D. Gale, A. García,  J. Junquera, R. M. Martin, P. Ordejón, J. M. Pruneda,  D. Sánchez-Portal and J. M. Soler, J. Phys.: Condens. Matter 20 (2008) 064208
  116. "Order-N and embedded-cluster first-principles DFT calculations using SIESTA/Mosaico'', L. Seijo, Z. Barandiaran and J. M. Soler, Theor. Chem. Accounts, 118 (2007) 541-547
  117. "Anomalous electron-phonon interaction in doped LaFeAsO: First-principles calculations'', F. Yndurain and J. M. Soler, Phys. Rev. B 79 (2009) 134506
  118. "Optimal Fourier filtering of a function that is strictly confined within a sphere'', J. M. Soler and E. Anglada, Computer Phys. Commun. 180 (2009) 1134-1136
  119. "Efficient Implementation of a van der Waals DensityFunctional: Application to Double-Wall Carbon Nanotubes'', G. Roman-Perez and J. M. Soler, Phys. Rev. Lett. 103 (2009) 096102
  120. "Energetics and Dynamics of H2 Adsorbed in a Nanoporous Material at Low Temperature'', L. Kong, G. Roman-Perez, J. M. Soler and D. C. Langreth, Phys. Rev. Lett. 103 (2009) 096103
  121. "Azafullerene-like Nanosized Clusters'', V. Lopez, G. Roman-Perez, A. Arregui A, E. Mateo-Marti, L. Banares, J. A. Martin-Gago, J. M. Soler, J. Gomez-Herrero and F. Zamora, ACS NANO 3 (2009) 3352-3357
  122. "Adsorption and electronic properties of PTCDA molecules on Si(111)-(7√ó7): Scanning tunneling microscopy and first-principles calculations'', N. Nicoara, O. Paz, J. Mendez, A. M. Baro, J. M. Soler and J. M. Gomez-Rodriguez, Phys. Rev. B 82 (2010) 075402
  123. "Stability, Adsorption, and Diffusion of CH4, CO2, and H2 in Clathrate Hydrates'', G. Roman-Perez, M. Moaied, J. M. Soler and F. Yndurain, Phys. Rev. Lett. 105 (2010) 145901
  124. "Density, structure, and dynamics of water: The effect of van der Waals interactions'', J. Wang, G. Roman-Perez, J. M. Soler, E. Artacho and M.-V. Fernandez-Serra, J. Chem. Phys. 134 (2011) 024516
  125. "Stability and electronic structure of M-DNA: Role of metal position'', S. S. Alexandre, B. J. Murta, J. M. Soler, and F. Zamora, Phys. Rev. B 84 (2011) 045413
  126. "Ab initio energetics and kinetics study of H2 and CH4 in the SI clathrate hydrate'', Q. Li, B. Kolb, G. Roman-Perez, J. M. Soler, F. Yndurain, L. Kong,  D. C. Langreth, and T. Thonhauser, Phys. Rev. B 84 (2011) 153103
  127. "Dispersion interactions in room-temperature ionic liquids: Results from a non-empirical density functional'', J. Kohanoff, C. Pinilla, T. G. A. Youngs, E. Artacho, and J. M. Soler, J. Chem. Phys. 135 (2011) 154505
  128. "Anomalous Nuclear Quantum Effects in Ice'', B. Pamuk, J. M. Soler, R. Ramirez, C. P. Herrero, P. W. Stephens, P. B. Allen, and M. W. Fernandez-Serra, Phys. Rev. Lett. 108 (2012) 193003
  129. "Recovering hidden Bloch character: Unfolding electrons, phonons, and slabs'', P. M. Allen, T. Berlijn, D. A. Casavant, and J. M. Soler, Phys. Rev. B 87 (2013) 085322
  130. "Intrinsic electrical conductivity of nanostructured metal-organic polymer chains'', C. Hermosa, J. V. Alvarez, M. R. Azani, C. J. Gomez-Garcia, M. Fritz, J. M. Soler, J. Gomez-Herrero, C. Gomez-Navarro, and F. Zamora, Nature Commun. 4 (2013) 1709
  131. "Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers'', P. Amo-Ochoa, S. S. Alexandre, S. Hribesh, M. A. Galindo, O. Castillo, C. J. Gomez-Garcia, A. R. Pike, J. M. Soler, A. Houlton, and F. Zamora, Inorganic Chem. 52 (2013) 5290-5299
  132. "Atmospheric contaminants on graphitic surfaces'', D. Martinez-Martin, R. Longuinhos, J. G. Izquierdo, A. Marele, S. S. Alexandre, M. Jaafar, J. M. Gomez-Rodriguez, L. Banares, J. M. Soler, and J. Gomez-Herrero, Carbon, 61 (2013) 33-39
  133. "A chain-of-states acceleration method for the efficient location of minimum energy paths'', E. R. Hernandez, C. P.Herrero, and J. M. Soler, J. Chem. Phys. 143 (2015) 184104
  134. "Optimization of an exchange-correlation density functional for water'', M. Fritz, M. V. Fernandez-Serra, and J. M. Soler,  J. Chem. Phys. 144 (2016) 224101
  135. "High electrical conductivity of single metal-organic chains'', P. Ares, P. Amo-Ochoa, J. M. Soler, J. J. Palacios, J. Gomez-Herrero, F. Zamora, Advanced Materials, 30 (2018) 1705645