Publications

2017

2016   

2015 

2014

2013

  • Juan Luis Aragonés, Eva G. Noya, Chantal Valeriani and Carlos Vega, Free energy calculations for molecular solids using GROMACS,  Journal of Chem. Phys. 139, 034104 (2013).
  • J. Pekalski, A. Ciach, and N.G. Almarza, Periodic ordering of clusters in a one-dimensional lattice model, J. Chem. Phys. 138, 144903 (2013);  arxiv:1301.5444v1
  • C. McBride, E. G. Noya and C. Vega, A computer program to evaluate the NVM propagator for rigid asymmetric tops for use in path integral simulations of rigid bodies,   Computer Physics Communications 184, 885 (2013)

2012

  • Aleks Reinhardt, Jonathan P. K. Doye, Eva G. Noya and Carlos Vega, Local order parameter for use in driving homogeneous ice nucleation with all-atom models of water, J. Chem. Phys. 137, 194504 (2012).
  • Carl McBride, Juan Luis Aragones, Eva G. Noya and Carlos Vega, A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models, Phys. Chem. Chem. Phys. 14, 15199 (2012).
2011
2010
  • N. G. Almarza, J.M. Tavares, and M.M. Telo da Gama, Effect of polydispersity on the ordering transition of adsorbed self-assembled rigid rods, Phys. Rev E 82, 061117 (2010). (Digital CSIC)
  • E. G. Noya, C. Vega, J.P.K. Doye and A. A. Louis, The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry, J. Chem. Phys. 132, 234511 (2010)  (Digital CSIC).
  • M.M. Conde, C. Vega, C. McBride, E.G. Noya, R. Ramirez and L.M. Sese,Can gas hydrates be described using classical computer simulations?, J. Chem. Phys. 132, 114503 (2010) (Digital CSIC).
  • C. Vega, M.M. Conde, C. McBride, J.L.F. Abascal, E.G. Noya, R. Ramirez and L.M. Sese, Heat capacity of water: a signature of nuclear quantum effects, J. Chem. Phys. 132, 046101 (2010) (Digital CSIC).
  • N.G. Almarza, C. Martín, and E. Lomba,Phase behavior of the confined Lebwohl-Lasher modelPhys. Rev E 82, 011140 (2010)
  • J.S. Høye and E. Lomba, A simple one-dimensional model with water-like phase behaviour,Mol. Phys. 108, 51-55 (2010).
  • E. Lomba and J.J. Weis,A computational study of electrolyte adsorption in a simple model for intercalated clays, J. Chem. Phys. 132, 104705 (2010).
  • E. Urones-Garrote, A. Gómez-Herrero, D. Ávila-Brande, N. A. Katcho, E. Lomba, A. R. Landa-Cánovas and L. C. Otero-Díaz, Transmision electron microscopy characterization of nanostructured carbon derived from Cr3C2 and Cr(C5H7O2)3,Carbon 48, 1425–1433 (2010).
2009
  • J.S. Høye, E. Lomba and N.G. Almarza, One- and three-dimensional lattice models with two repulsive ranges: Simple systems with complex phase behaviour,Mol. Phys.,107, 321 (2009).
  • C.F. Tejero and E. Lomba, Density-dependent interactions and thermodynamic consistency in integral equation theories,Mol. Phys., 107, 349 (2009)
  • N.G. Almarza, C. Martín, and E. Lomba,Phase behavior of the hard-sphere Maier-Saupe fluid under spatial confinement,Phys. Rev. E, 80, 031501 (2009)
  • N.G. Almarza, J. Capitan, J. Cuesta, and E. Lomba,Phase diagram of a two-dimensional lattice gas model of a ramp system,J. Chem. Phys. 131, 124506 (2009)
  • N.G. Almarza, A Cluster algorithm for Monte Carlo simulation at constant pressure, J. Chem. Phys. 130, 184106 (2009).
  • E. Urones-Garrote, A. Gómez-Herrero, D. Ávila-Brande, P. González-García, N. A. Katcho, E. Lomba, A. R. Landa-Cánovas and L. C. Otero-Díaz, Electron microscopy study of porous carbide-derived carbons obtained from B4C,J. Argen. Chem. Soc. 97, 13-24 (2009)
  • N.G. Almarza, A. Gallardo, C. Martín, J.M. Guil y E. Lomba, Topological considerations on microporous adsorption processes in simple models for pillared interlayered clays. J. Chem. Phys. 131, 124506 (2009).
  • N.A. Katcho, M.I. Richard, O. Landre, G. Tourbot, M.G. Proietti, H. Renevier, et al.,Structural properties of Ge/Si(001) nano-islands and AlGaN nanowires by Diffraction Anomalous Fine Structure and Multiwavelength Anomalous Diffraction , J. Phys. Conference Series, 190, 012129 (2009)
2008
  • N.A. Katcho, P. Zetterström, E. Lomba, J.F.Marco, E. Urones-Garrote, D. Avila-Brande, A. Gómez-Herrero, L.C. Otero-Díaz, A.R. Landa-Cánovas, Microscopic structure of Carbon Nanospheres obtained form Chlorination of Cobaltocene.Phys. Rev. B, 77, 195402 (2008)
  • J.S. Høye y E. Lomba,Phase behavior of a simple lattice model with a two-scale repulsive interaction. J. Chem. Phys. 129, 024501 (2008)
  • N.G. Almarza, E. Lomba, C. Martin, y, A. Gallardo, Demixing in binary mixtures of apolar and dipolar hard spheres.J. Chem. Phys. 129, 234504 (2008)
2007
  • David Avila-Brande, Esteban Urones-Garrote, Nebil A. Katcho, Enrique Lomba, Adrian Gomez-Herrero, Angel R. Landa-Canovas, L. Carlos Otero-Díaz ,Electron microscopy characterization of nanostructured carbon obtained from chlorination of metallocenes and metal carbides.Micron, 38, 335-345 (2007)
  • C. McBride and E. Lomba , Hard biaxial ellipsoids revisited: numerical results. Fluid Phase Equil., 255, 37-45 (2007)
  • Nebil A. Katcho, Esteban Urones-Garrote, David Avila-Brande, Adrian Gomez-Herrero, Sigita Urbonaite, Stefan Csillag, Enrique Lomba, Fernando Agullo-Rueda, Angel R. Landa-Canovas, and L. Carlos Otero-Diaz , Carbon Hollow Nanospheres from Chlorination of Ferrocene.Chem. Mater., 19, 2304-2309 (2007)
  • E. Urones-Garrote, D. Ávila-Brande, N.A. Katcho, A. Gómez-Herrero, A.R. Landa-Cánovas, E. Lomba, L.C. Otero-Díaz , Spherical carbon nanoparticles produced by direct chlorination of cobaltocene. Carbon, 45, 1699-1701 (2007)
  • E. Lomba, N.G. Almarza, C.Martín, C. McBride , Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies. J. Chem. Phys., 126, 244510 (2007)
  • E. Lomba, J.J. Weis and F. Lado, Structure and thermodynamics of a two-dimensional Coulomb fluid in the strong association regime. J. Chem. Phys., 127, 074501 (2007)
  • N.G. Almarza and E. Lomba, A cluster algorithm to perform parallel Monte Carlo Simulation of Atomistic Systems. J. Chem. Phys., 127, 084116 (2007)
  • N.A. Katcho, P.O. Zetterstrom, E. Lomba, L.C. Otero-Diaz, Y.D. Wang and Y. Ren,Microscopic structure and dynamics of molten Se50Te50 alloys.J. Chem. Phys., 127, 144707 (2007)
  • F. Lado and E. Lomba, An integral equation procedure based on tailored orthogonal functions for the XY-spin fluid in an external magnetic field. Phys. Rev. E, 76, 041502 (2007)
  • E. Lomba, N.G. Almarza and C. Martín, Phase behavior of a family of continuous two-dimensional n-vector models with n=2,3, and 4. Phys. Rev. E, 76, 061107 (2007)
  • P. Zetterstrom, R. Delaplane, Y.D. Wang, P.K. Liaw, H. Choo, K. Saksl, H.F. Zhang, Y. Ren and L. Zuo, Nanoscale defect clusters in metallic glasses. J. Phys. Cond. Matter, 19, 376217 (2007)
  • N.G. Almarza, Computation of the free energy of solids. J. Chem. Phys., 126, 211103 (2007)
  • E. de Miguel, N.G. Almarza, and G. Jackson, Surface tension of the Widom-Rowlinson model.
    J. Chem. Phys., 126, 034707 (2007).