Departament de Física

Quim Trullas i Simo

Associate professor
Campus Nord (UPC), Edifici B4-B5, Despatx B4-204
Jordi Girona, 1-3
08034 Barcelona

Telèfon: +34 934016966
E-Mail: quim.trullasupc.edu
Web del grup de recerca: http://simcon.upc.edu/en
Web personal: https://futur.upc.edu/JoaquimTrullasSimo

1- Br diffusion in molten NaBr explored by coherent quasielastic neutron scattering
Demmel, F. ; Alcaraz, O. ; Trullas, J.
Physical Review E 93, 042604 (2016)

2- The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model
Alcaraz, O. ; Trullas, J. ; Tahara, S. ; Kawakita, Y. ; Takeda, S.
Journal of Chemical Physics 145, 094503 (2016)

3- Single ion dynamics in molten sodium bromide
Alcaraz, O. ; Demmel, F. ; Trullas, J.
Journal of Chemical Physics 141, 244508 (2014)

4- The structure of molten AgCl, AgI and their eutectic mixture as studied by molecular dynamics simulations of polarizable ion model potentials
Alcaraz, O. ; Bitrián, V. ; Trullas, J.
Journal of Chemical Physics 134, 014505 (2011)

5- A polarizable ion model for the structure of molten CuI
Bitrián, V. ; Alcaraz, O. ; Trullas, J.
Journal of Chemical Physics 134, 044501 (2011)

6- The longitudinal optic-like mode in molten alkali halides: A molecular dynamics approximation to inelastic x-ray scattering experiments
Alcaraz, O. ; Trullas, J.
Journal of Chemical Physics 132, 054503 (2010)

7- "Static dielectric properties of polarizable ion models: Molecular dynamics study of molten AgI and NaI"
Bitrián, V. ; Alcaraz, O. ; Trullas, J.
Journal of Chemical Physics 130, 234504 (2009)

8- "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)"
Bitrián, V. ; Trullas, J. ; Silbert, M.
Physica B. Condensed matter 403, 4249-4258 (2008)

9- "Molecular dynamics study of polarization effects on AgI"
Trullas, J. ; Bitrián, V.
Journal of Physical Chemistry B 112, 1718-1728 (2008)

10- "Polarization effects on the dielectric properties of molten AgI"
Bitrián, V. ; Trullas, J.
Journal of Physics: Conference Series 98, 042006 (2008)

11- "A polarizable ion model for the structure of molten AgI"
Bitrián, V. ; Trullas, J. ; Silbert, M.
Journal of Chemical Physics 126, 021105 (2007)

12- "On the structure of the molten mixture Ag(I0.3Br0.7)"
Trullas, J. ; Bitrián, V. ; Kawakita, Y. ; Takeda, S. ; Enosaki, T. ; Silbert, M.
Journal of non-crystalline solids 353, 2993-2996 (2007)

13- Molecular dynamics study of polarizable point dipole models for molten sodium iodide
Alcaraz, O. ; Bitrián, V. ; Trullas, J.
Journal of Chemical Physics 127, 154508 (2007)

14- Molecular dynamics study of the incoherent and coherent contributions to the total dynamic structure factor of molten NaI
Alcaraz, O. ; Trullas, J.
Journal of Molecular Liquids 136, 227-235 (2007)

15- "Molecular dynamics study of polarizable ion models for molten AgBr"
Bitrián, V. ; Trullas, J.
Journal of Physical Chemistry B 110, 7490-7499 (2006)

16- "Neutron diffraction data and molecular dynamics simulations of the molten mixture Ag(Br0.7I0.3)"
Bitrián, V. ; Silbert, M. ; Trullas, J. ; Enosaki, T. ; Kawakita, Y. ; Takeda, S.
Journal of Chemical Physics 125, 184510 (2006)

17- Structure and dynamics of molten AgCl: the inclusion of induced polarization
Trullas, J. ; Alcaraz, O. ; Gonzalez, L. ; Silbert, M.
Journal of Physical Chemistry B 107, 282-290 (2003)

18- Molecular dynamics simulation of collective motions in binary liquids
Anento, N. ; Padro, J. ; Alcaraz, O. ; Trullas, J.
Molecular simulation 29, 373-384 (2003)

19- The structure of molten AgCl revisited
Trullas, J. ; Alcaraz, O. ; Silbert, M.
Journal of non-crystalline solids 312-314, 438-442 (2002)

20- Space-dependent self-diffusion processes in molten copper halides: a molecular dynamics study
Alcaraz, O. ; Trullas, J.
Journal of Chemical Physics 115, 7071-7075 (2001)

21- The bridge functions of molten salts
Tasseven, Ç. ; Gonzalez, L. ; Silbert, M. ; Alcaraz, O. ; Trullas, J.
Journal of Chemical Physics 115, 4676-4680 (2001)

22- "Velocity cross-correlations in Lennard Jones and soft-sphere fluids: a molecular dynamics simulation study"
Verdaguer, A. ; Padro, J. ; Trullas, J.
Journal of Molecular Liquids 85, 23-32 (2000)

23- Mass and size dependence of single ion dynamics in molten monohalides
Alcaraz, O. ; Trullas, J.
Journal of Chemical Physics 113, 10635-10641 (2000)

24- "Integral equations calculations and computer simulations of the static structure and ionic transport in molten nickel halides"
Tasseven, C. ; Alcaraz, O. ; Trullas, J. ; Silbert, M.
High temperature materials and processes 17, 163-176 (1998)

25- "Molecular dynamics study of the velocity cross-correlations in liquids"
Verdaguer, A. ; Padro, J. ; Trullas, J.
Journal of Chemical Physics 109, 228-234 (1998)

26- "Diffusive transport properties in monovalent and divalent metal-ion halide melts: a computer simulation study"
Trullas, J. ; Padro, J.
Physical Review B 55, 12210-12217 (1997)

27- "Static structure and ionic transport in molten"
Tasseven, Ç. ; Trullas, J. ; Silbert, M. ; Giro, A.
Journal of Chemical Physics 106, 7286-7296 (1997)

28- Static structure and ionic transport in molten AgBr and AgCl
Tasseven, Ç. ; Trullas, J. ; Alcaraz, O. ; Silbert, M. ; Giro, A.
Journal of Chemical Physics 106, 7286-7294 (1997)

29- "Integral equation calculations and computer simulation of the static structure and ionic transport in molten tholtium halides"
Tasseven, Ç. ; Alcaraz, O. ; Trullas, J. ; Silbert, M. ; Giro, A.
Journal of Physics: Condensed Matter 9, 11061-11075 (1997)

30- "Integral equation calculations and computer simulations of the static structure and ionic transport in molten thallium halides"
Tasseven, Ç. ; Alcaraz, O. ; Trullas, J. ; Silbert, M. ; Giro, A.
Journal of Physics: Condensed Matter 9, 11061-11075 (1997)

31- "The static dielectric function of molten copper halides"
Tasseven, G. ; Silbert, M. ; Trullas, J.
Journal of Physics: Condensed Matter 7, 8877-8881 (1995)

32- "Self and cross velocity correlation functions and diffusion coefficients in liquids: a molecular dynamics study of binari mixtures of self spheres"
Trullas, J. ; Padro, J.
Physical Review E 50, 1162-1170 (1994)

33- "Charge effects in the structure of an almost-ionic solid: molecular-dynamics studies"
Trullas, J. ; Giro, A. ; Fontanet, R. ; Silbert, M.
Physical Review B 50, 16279-16286 (1994)

34- "Diffusion in multicomponent liquids: a new set of collective velocity correlation funcions and difusion coefficients"
Trullas, J. ; Padro, J.
Journal of Chemical Physics 99, 3983-3989 (1993)

35- Continuous pressure-induced structural transition in the noble-metal halide melts
Silbert, M. ; Giro, A. ; Trullas, J.
Physical Review B 46, 14886-14888 (1992)

36- "Continuous pressure-induced structural transition in noble metal halide melts"
Giro, A. ; Trullas, J.
Physical Review B 46, 1486-1488 (1992)

37- Computer simulation study of the dynamical cross-correlations in liquids
Padro, J. ; Trullas, J. ; Sese, G.
Molecular Physics 72, 1035-1049 (1991)

38- "Charge ordering and size effects in the sodium chloride and copper chloride me"
Trullas, J. ; Giro, A.
Physica A: statistical mechanics and its applications 171, 384-402 (1991)

39- "Potentials and correlation functions for the copper halide and silver iodide melts. I. Static correlations"
Stafford, A. ; Silbert, M. ; Trullas, J. ; Giro, A.
Journal of Physics: Condensed Matter 2, 6631-6641 (1990)

40- "Potentials and correlation functions for the copper halide and silver iodide melts. II. Time correlation functions and ionic transport properties"
Trullas, J. ; Giro, A.
Journal of Physics: Condensed Matter 2, 6643-6650 (1990)

41- "Molecular dynamics of the structure and transport properties of amorphous agi"
Trullas, J. ; Giro, A.
Journal of non-crystalline solids 0, 635-637 (1990)

42- "Langevin dynamics study of nacl electrolite solutions at different concentrati"
Trullas, J. ; Giro, A.
Journal de chimie physique et de physico-chimie biologique 93, 5177-5181 (1990)