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  • Single ion dynamics in molten sodium bromide

     Alcaraz Sendra, Olga; Demmel, F; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 141, num. 24, p. 1
    DOI: 10.1063/1.4904821
    Date of publication: 2014-12-28
    Journal article
  • Beam focalization in reflection from flat dielectric subwavelength gratings

     Cheng, Yu Chieh; Zeng, H; Trullàs Simó, Joaquim; Cojocaru, Crina Maria; Malinauskas, Mangirdas; Jukna, T; Wiersma, D.S.; Staliunas, Kestutis
    Optics letters
    Vol. 39, num. 20, p. 6086-6089
    DOI: 10.1364/OL.39.006086
    Date of publication: 2014-10-15
    Journal article
  • Polarization effects on the internal mobilities in molten mixture LiCl-KCl

     Trullàs Simó, Joaquim; Alcaraz Sendra, Olga
    Liquid Matter Conference
    p. 11
    Presentation's date: 2014-07-21
    Presentation of work at congresses
  • SIMULACION A NANOESCALA DE FASES CONDENSADAS: SALES FUNDIDAS, DISOLUCIONES IONICAS Y LÍQUIDOS MOLECULARES

     Henao Aristizábal, Andres; Calero Borallo, Carlos; Sese Castel, Gemma; Marti Rabassa, Jordi; Calvo Minguillon, Ausias March; Canales Gabriel, Manel; Trullàs Simó, Joaquim; Alcaraz Sendra, Olga; Rey Oriol, Rosendo; Ortiz de Urbina Viade, Jordi; Guardia Manuel, Elvira
    Competitive project
  • Estudio de modelos de ión polarizables para sales fundidas mediante dinámica molecular  Open access

     Bitrian Varea, Vicente
    Department of Applied Physics, Universitat Politècnica de Catalunya
    Theses
  • Molecular dynamics study of polarizable ion models for molten copper halides

     Alcaraz Sendra, Olga; Bitrian Varea, Vicente; Trullàs Simó, Joaquim
    Congreso de Física Estadística
    p. 60
    Presentation's date: 2011-06-02
    Presentation of work at congresses
  • Molecular dynamics of polarizable point dipole models for molten NaI. Comparison with first principles simulations

     Bitrian Varea, Vicente; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    EPJ Web of Conferences
    Vol. 15, p. 1-3
    DOI: 10.1051/epjconf/20111502009
    Date of publication: 2011-05-18
    Journal article
  • A polarizable ion model for the structure of molten CuI  Open access

     Bitrian Varea, Vicente; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 134, num. 4, p. 044501-1-044501-6
    DOI: 10.1063/1.3525461
    Date of publication: 2011-01-24
    Journal article
    Access to the full text
  • The structure of molten AgCl, AgI and their eutectic mixture as studied by molecular dynamics simulations of polarizable ion model potentials

     Alcaraz Sendra, Olga; Bitrian Varea, Vicente; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 134, p. 014505-014505-9
    DOI: 10.1063/1.3506867
    Date of publication: 2011-01-05
    Journal article
  • The longitudinal optic-like mode in molten alkali halides: A molecular dynamics approximation to inelastic x-ray scattering experiments

     Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 132, num. 054503, p. 1-10
    DOI: 10.1063/1.3298863
    Date of publication: 2010-02-07
    Journal article
  • PROPIEDADES DINAMICAS EN FASES LIQUIDAS: SALES FUNDIDAS, DISOLUCIONES IONICAS Y LIQUIDOS MOLECULARES

     Sese Castel, Gemma; Rey Oriol, Rosendo; Trullàs Simó, Joaquim; Ortiz de Urbina Viade, Jordi; Canales Gabriel, Manel; Marti Rabassa, Jordi; Bitrian Varea, Vicente; Calvo Minguillon, Ausias March; Sala2 Viñas, Jonàs; Alcaraz Sendra, Olga; Guardia Manuel, Elvira
    Competitive project
  • Molecular dynamics of polarizable point dipole models for molten NaI. Comparison with first principles simulations"

     Bitrian Varea, Vicente; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Fourteenth International Conference on 'Liquid and Amorphous Metals'
    p. 113
    Presentation of work at congresses
  • GRUP DE SIMULACIO PER ORDINADOR EN MATERIA CONDENSADA

     Pastor Satorras, Romualdo; Sese Castel, Gemma; Rey Oriol, Rosendo; Casulleras Ambros, Joaquin; Trullàs Simó, Joaquim; Bitrian Varea, Vicente; Baronchelli, Andrea; Osychenko, Oleg; Canales Gabriel, Manel; Boronat Medico, Jordi; Marti Rabassa, Jordi; Macia Rey, Adrian; Calvo Minguillon, Ausias March; Ortiz de Urbina Viade, Jordi; Mazzanti Castrillejo, Fernando Pablo; Astrakharchik, Grigori; Rota, Riccardo; Sala2 Viñas, Jonàs; Alcaraz Sendra, Olga; Guardia Manuel, Elvira
    Competitive project
  • Static dielectric properties of polarizable ion models: Molecular dynamics study of molten AgI and NaI

     Bitrian Varea, Vicente; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 130, p. 234504-1-234504-10
    DOI: 10.1063/1.3152241
    Date of publication: 2009-06
    Journal article
  • Long-wavelength limit of the static structure factors for mixtures of two simple molten salts with a common ion and generalized Bhatia-Thornton formalism: Molecular dynamics study of molten mixture Ag(Br0.7I0.3)

     Bitrian Varea, Vicente; Trullàs Simó, Joaquim; Silbert, Moises
    Physica B. Condensed matter
    Vol. 403, num. 23-24, p. 4249-4258
    DOI: 10.1016/j.physb.2008.09.017
    Date of publication: 2008-12
    Journal article
  • Molecular Dynamics Study of Polarization Effects on AgI

     Trullàs Simó, Joaquim; Bitrian Varea, Vicente
    Journal of physical chemistry B
    Vol. 112, num. 6, p. 1718-1728
    DOI: 10.1021/jp077604a
    Date of publication: 2008-02
    Journal article
  • Polarization effects on the dielectric properties of molten AgI

     Bitrian Varea, Vicente; Trullàs Simó, Joaquim
    Journal of physics: conference series
    Vol. 98, num. 04, p. 042006-1-042006-5
    DOI: 10.1088/1742-6596/98/4/042006
    Date of publication: 2008-01
    Journal article
  • The Static Dielectric Function for Polarizable Ion Models. Molecular Dynamics Study of Molten AgI and NaI

     Bitrian Varea, Vicente; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    7th Liquid Matter Conference
    Presentation of work at congresses
  • Molecular dynamics study of the structure of molten mixture Ag(Cl0.43I0.57)

     Bitrian Varea, Vicente; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    7th Liquid Matter Conference
    Presentation of work at congresses
  • Molecular dynamics study of the incoherent and coherent contributions to the total dynamic structure factor of molten NaI

     Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Journal of molecular liquids
    Vol. 136, num. 3, p. 227-235
    DOI: 10.1016/j.molliq.2007.08.022
    Date of publication: 2007-12
    Journal article
  • Molecular dynamics study of polarizable point dipole models for molten sodium iodide

     Alcaraz Sendra, Olga; Bitrian Varea, Vicente; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 127, num. 15, p. 154508-1-154508-10
    DOI: 10.1063/1.2794044
    Date of publication: 2007-10
    Journal article
  • On the structure of the molten mixture Ag(I0.3Br0.7)

     Trullàs Simó, Joaquim; Bitrian Varea, Vicente; Kawakita, Y; Takeda, S; Enosaki, T; Silbert, Moises
    Journal of non-crystalline solids
    Vol. 353, num. 32-40, p. 2993-2996
    DOI: 10.1016/j.jnoncrysol.2007.05.069
    Date of publication: 2007-10
    Journal article
  • Polarization effects on the structure of molten AgI in the long-wavelength limit

     Trullàs Simó, Joaquim
    Thirteenth International Conference on Liquid and Amorphous Metals
    Presentation's date: 2007-07-12
    Presentation of work at congresses
  • A polarizable ion model for the structure of molten AgI

     Bitrian Varea, Vicente; Trullàs Simó, Joaquim; Silbert, Moises
    Journal of chemical physics
    Vol. 126, num. 2, p. 021105-1-021105-4
    DOI: 10.1063/1.2432346
    Date of publication: 2007-01
    Journal article
  • Neutron diffraction data and molecular dynamics simulations of the molten mixture Ag(Br0.7I0.3)

     Bitrian Varea, Vicente; Silbert, Moises; Trullàs Simó, Joaquim; Enosaki, T; Kawakita, Y; Takeda, S
    Journal of chemical physics
    Vol. 125, num. 18, p. 184510-1-184510-10
    DOI: 10.1063/1.2386161
    Date of publication: 2006-11
    Journal article
  • Simulación por ordenador de sistemas condensados: sales fundidas, disoluciones iónicas y líquidos moleculares

     Sese Castel, Gemma; Guardia Manuel, Elvira; Rey Oriol, Rosendo; Marti Rabassa, Jordi; Trullàs Simó, Joaquim
    Competitive project
  • Molecular dynamics study of molten NaI. Coherent and incoherent contributions to the total structure factor.

     Trullàs Simó, Joaquim
    EMLG/JMLG Annual Meeting: Liquid Systems under Extrem Conditions
    Presentation's date: 2006-09-03
    Presentation of work at congresses
  • Molecular dynamics study of polarizable ion models for molten AgBr

     Bitrian Varea, Vicente; Trullàs Simó, Joaquim
    Journal of physical chemistry B
    Vol. 110, p. 7490-7499
    DOI: 10.1021/jp056818u
    Date of publication: 2006-03
    Journal article
  • Simulació per ordinador en matèria condensada. (Grup de recerca consolidat)

     Guardia Manuel, Elvira; Sese Castel, Gemma; Rey Oriol, Rosendo; Marti Rabassa, Jordi; Trullàs Simó, Joaquim
    Competitive project
  • Física per a estudiants d'informàtica

     Giro Roca, Antoni; Canales Gabriel, Manel; Rey Oriol, Rosendo; Sese Castel, Gemma; Trullàs Simó, Joaquim
    Date of publication: 2005-12
    Book
    Image
  • AgBr: Potentials, structure and ionic transport

     Trullàs Simó, Joaquim
    6th Liquid Matter Conference
    Presentation's date: 2005-06-02
    Presentation of work at congresses
  • On the structure of molten (AgI)0.3(AgBr)0.7 liquid mixture at T=650 C

     Trullàs Simó, Joaquim; Bitrian Varea, Vicente; Kawakita, Y; Takeda, S; Enosaki, T; Silbert, Moises
    Twelfth International Conference on Liquid and Amorphous Metals
    Presentation of work at congresses
  • Simulación por ordenador de sistemas condensados: líquidos iónicos, polímeros y líquidos moleculares

     Guardia Manuel, Elvira; Sese Castel, Gemma; Marti Rabassa, Jordi; Trullàs Simó, Joaquim
    Competitive project
  • Física

     Giro Roca, Antoni; Canales Gabriel, Manel; Rey Oriol, Rosendo; Sese Castel, Gemma; Trullàs Simó, Joaquim
    Date of publication: 2003-09
    Book
  • Molecular dynamics simulation of collective motions in binary liquids

     Anento Moreno, Napoleon; Padro Cardenas, Joan Angel; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Molecular simulation
    Vol. 29, num. 6-7, p. 373-384
    DOI: 10.1080/0892702031000117171
    Date of publication: 2003-06
    Journal article
  • Structure and dynamics of molten AgCl: the inclusion of induced polarization

     Trullàs Simó, Joaquim; Alcaraz Sendra, Olga; ENRIQUE GONZALEZ TESEDO, LUIS; Silbert, Moises
    Journal of physical chemistry B
    Vol. 107, num. 1, p. 282-290
    DOI: 10.1021/jp026118e
    Date of publication: 2003
    Journal article
  • The structure of molten AgCl revisited

     Trullàs Simó, Joaquim; Alcaraz Sendra, Olga; Silbert, Moises
    Journal of non-crystalline solids
    Vol. 312-314, p. 438-442
    Date of publication: 2002-09
    Journal article
  • Journal of chemical physics

     Trullàs Simó, Joaquim
    Collaboration in journals
  • Grup de recerca consolidat. Grup de simulació per ordinador en matèria condensada

     Sese Castel, Gemma; Guardia Manuel, Elvira; Giro Roca, Antoni; Rey Oriol, Rosendo; Trullàs Simó, Joaquim
    Competitive project
  • The bridge functions of molten salts  Open access

     Tasseven, Çetin; Enrique González, Luis; Silbert, Moises; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 115, num. 10, p. 4676-4680
    DOI: 10.1063/1.1392366
    Date of publication: 2001-09
    Journal article
    Access to the full text
  • Estudi de sals foses mitjançant la dinàmica molecular  Open access

     Alcaraz Sendra, Olga
    Department of Physics and Nuclear Engineering, Universitat Politècnica de Catalunya
    Theses
  • Space-dependent self-diffusion processes in molten copper halides: a molecular dynamics study  Open access

     Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 115, num. 15, p. 7071-7075
    DOI: 10.1063/1.1401827
    Date of publication: 2001
    Journal article
    Access to the full text
  • The structure of molten AgCl revisited

     Trullàs Simó, Joaquim; Silbert, Moises
    Eleventh International Conference on Liquid and Amorphous Metals
    p. 99
    Presentation of work at congresses
  • Mass and size dependence of single ion dynamics in molten monohalides  Open access

     Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    Journal of chemical physics
    Vol. 113, num. 23, p. 10635-10641
    DOI: 10.1063/1.1323978
    Date of publication: 2000-12
    Journal article
    Access to the full text
  • Simulación por ordenador de sistemas condensados: líquidos iónicos y moleculares.

     Guardia Manuel, Elvira; Sese Castel, Gemma; Giro Roca, Antoni; Marti Rabassa, Jordi; Trullàs Simó, Joaquim
    Competitive project
  • Velocity cross-correlations in Lennard Jones and soft-sphere fluids: a molecular dynamics simulation study

     Verdaguer, Albert; Padro Cardenas, Joan Angel; Trullàs Simó, Joaquim
    Journal of molecular liquids
    Vol. 85, num. 1-2, p. 23-32
    Date of publication: 2000-04
    Journal article
  • Grup de simulació per ordinador en materia condensada

     Guardia Manuel, Elvira; Sese Castel, Gemma; Giro Roca, Antoni; Rey Oriol, Rosendo; Marti Rabassa, Jordi; Trullàs Simó, Joaquim
    Competitive project
  • Challenges in molecular simulation: bridging the length and time scale gap

     Trullàs Simó, Joaquim; Sese Castel, Gemma; Frenkel ., Daan; Rey Oriol, Rosendo; Ciccotti ., Giovanni; Mareschal ., Michel
    Competitive project
  • Collective dynamics in molten KCl, RbCl, CuCl and CuI: A molecular dynamics study

     Alcaraz Sendra, Olga; Trullàs Simó, Joaquim
    4th Liquid Matter Conference
    Presentation of work at congresses
  • Física per a estudiants d'Informàtica

     Giro Roca, Antoni; Canales Gabriel, Manel; Rey Oriol, Rosendo; Sese Castel, Gemma; Trullàs Simó, Joaquim
    Date of publication: 1998-10
    Book