1. M. Alagia, E. Bodo, P. Decleva, S. Falcinelli, A. Ponzi, R. Richter & S. Stranges
    The soft X-ray absorption spectrum of the allyl free radical
    Physical Chemistry Chemical Physics 15, 1310-1318 (2013) Link

  2. R. Alfieri, S. Arezzini, G. Barone, U. Becciani, M. Bencivenni, V. Boccia, D. Bottalico, L. Carracciuolo, D. Cesini, A. Ciampa, A. Costantini, S. Cozzini, R. De Pietri, M. Drudi, A. Ghiselli, E. Mazzoni, S. Ottani, A. Venturini & P. Veronesi
    The HPC testbed of the Italian grid infrastructure
    Proceedings of the 2013 21st Euromicro International Conference on Parallel, Distributed, and Network-Based Processing, PDP 2013 , 241-248 (2013) Link

  3. D. Alfè, M. Pozzo, E. Miniussi, S. Günther, P. Lacovig, S. Lizzit, R. Larciprete, B. Burgos, T. Menteş, A. Locatelli & A. Baraldi
    Fine tuning of graphene-metal adhesion by surface alloying
    Scientific Reports 3, (2013) Link

  4. A. Ambrosetti, F. Ancilotto & P. Silvestrelli
    Van der Waals-corrected Ab initio study of water ice-graphite interaction
    Journal of Physical Chemistry C 117, 321-325 (2013) Link

  5. F. Ancilotto, M. Rossi & F. Toigo
    Supersolid structure and excitation spectrum of soft-core bosons in three dimensions
    Physical Review A - Atomic, Molecular, and Optical Physics 88, (2013) Link

  6. F. Ancilotto, L. Salasnich & F. Toigo
    Critical velocity, vortex shedding, and drag in a unitary Fermi superfluid
    Physical Review A - Atomic, Molecular, and Optical Physics 87, (2013) Link

  7. F. Ancilotto, L. Salasnich & F. Toigo
    Dispersive effects in the unitary fermi gas
    Journal of Low Temperature Physics 171, 329-340 (2013) Link

  8. M. Asadzadeh, F. Becca & M. Fabrizio
    Variational Monte Carlo approach to the two-dimensional Kondo lattice model
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  9. P. Baruselli, M. Fabrizio, A. Smogunov, R. Requist & E. Tosatti
    Magnetic impurities in nanotubes: From density functional theory to Kondo many-body effects
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  10. P. Baruselli, R. Requist, M. Fabrizio & E. Tosatti
    Ferromagnetic kondo effect in a triple quantum dot system
    Physical Review Letters 111, (2013) Link

  11. S. a Beccara, T. Škrbić, R. Covino, C. Micheletti & P. Faccioli
    Folding Pathways of a Knotted Protein with a Realistic Atomistic Force Field
    PLoS Computational Biology 9, (2013) Link

  12. I. Bisha, A. Laio, A. Magistrato, A. Giorgetti & J. Sgrignani
    A candidate ion-retaining state in the inward-facing conformation of sodium/galactose symporter: Clues from atomistic simulations
    Journal of Chemical Theory and Computation 9, 1240-1246 (2013) Link

  13. M. Bon, C. Micheletti & H. Orland
    McGenus: A Monte Carlo algorithm to predict RNA secondary structures with pseudoknots
    Nucleic Acids Research 41, 1895-1900 (2013) Link

  14. O. Braun, N. Manini & E. Tosatti
    Size scaling of static friction
    Physical Review Letters 110, (2013) Link

  15. F. Buccheri & A. Trombettoni
    Relative phase and Josephson dynamics between weakly coupled Richardson models
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  16. M. Burrello, I. Fulga, E. Alba, L. Lepori & A. Trombettoni
    Topological phase transitions driven by non-Abelian gauge potentials in optical square lattices
    Physical Review A - Atomic, Molecular, and Optical Physics 88, (2013) Link

  17. J. Bünemann, M. Capone, J. Lorenzana & G. Seibold
    Linear-response dynamics from the time-dependent Gutzwiller approximation
    New Journal of Physics 15, (2013) Link

  18. J. Carrasquilla, A. Ciolo, F. Becca, V. Galitski & M. Rigol
    Nature of the phases in the frustrated X y model on the honeycomb lattice
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  19. M. Casula & S. Sorella
    Improper s-wave symmetry of the electronic pairing in iron-based superconductors by first-principles calculations
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  20. D. Catone, S. Turchini, M. Stener, P. Decleva, G. Contini, T. Prosperi, V. Feyer, K. Prince & N. Zema
    Photoelectron spectroscopy and circular dichroism of a chiral metal-organic complex
    Rendiconti Lincei 24, 269-275 (2013) Link

  21. A. Cepellotti, A. Peronio, S. Marchini, N. Abdurakhmanova, C. Dri, C. Africh, F. Esch, G. Comelli & M. Peressi
    NH3-NO coadsorption system on Pt(111). II. Intermolecular interaction
    Journal of Physical Chemistry C 117, 21196-21202 (2013) Link

  22. E. Coira, F. Becca & A. Parola
    Quantum quenches in one-dimensional gapless systems
    European Physical Journal B 86, (2013) Link

  23. F. Costanzo, P. Silvestrelli, M. Gleria & A. Boscoletto
    The Thermally-Induced Bulk Polymerization of Hexachlorocyclotriphosphazene to Polydichlorophosphazene by First-Principles Simulations
    Journal of Inorganic and Organometallic Polymers and Materials 23, 1397-1408 (2013) Link

  24. S. Cozzini, D. Vaddi, S. Goel, F. De Giorgi & S. Dash
    Regional Climate Simulations on EU-INDIA Grid Infrastructures: Methodologies and Performance
    Journal of Grid Computing , 1-18 (2013) Link

  25. N. Crampé & A. Trombettoni
    Quantum spins on star graphs and the Kondo model
    Nuclear Physics B 871, 526-538 (2013) Link

  26. A. Dal Corso
    Ab initio phonon dispersions of transition and noble metals: Effects of the exchange and correlation functional
    Journal of Physics Condensed Matter 25, (2013) Link

  27. F. De Leo, J. Sgrignani, D. Bonifazi & A. Magistrato
    Structural and dynamic properties of monoclonal antibodies immobilized on CNTs: A computational study
    Chemistry - A European Journal 19, 12281-12293 (2013) Link

  28. A. Ferreira, E. Küçükbenli, S. De Gironcoli, W. Souza, S. Chiaro, E. Konstantinova & A. Leitão
    Structural models of activated γ-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations
    Chemical Physics 423, 62-72 (2013) Link

  29. D. Franco, J. Sgrignani, G. Bussi & A. Magistrato
    Structural role of uracil DNA glycosylase for the recognition of uracil in DNA duplexes. Clues from atomistic simulations
    Journal of Chemical Information and Modeling 53, 1371-1387 (2013) Link

  30. D.-W. Fu, H.-L. Cai, Y. Liu, Q. Ye, W. Zhang, Y. Zhang, X.-Y. Chen, G. Giovannetti, M. Capone, J. Li & R.-G. Xiong
    Diisopropylammonium bromide is a high-temperature molecular ferroelectric crystal
    Science 339, 425-428 (2013) Link

  31. S. Furlan & P. Giannozzi
    The interactions of nitrogen dioxide with graphene-stabilized Rh clusters: A DFT study
    Physical Chemistry Chemical Physics 15, 15896-15904 (2013) Link

  32. P. Gargiani, G. Rossi, R. Biagi, V. Corradini, M. Pedio, S. Fortuna, A. Calzolari, S. Fabris, J. Cezar, N. Brookes & M. Betti
    Spin and orbital configuration of metal phthalocyanine chains assembled on the Au(110) surface
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  33. P. Ghosh, M. Farnesi Camellone & S. Fabris
    Fluxionality of Au clusters at ceria surfaces during CO oxidation: Relationships among reactivity, size, cohesion, and surface defects from DFT simulations
    Journal of Physical Chemistry Letters 4, 2256-2263 (2013) Link

  34. D. Giuliano, D. Rossini, P. Sodano & A. Trombettoni
    XXZ spin-12 representation of a finite-U bose-hubbard chain at half-integer filling
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  35. G. Gori, T. Macrì & A. Trombettoni
    Modulational instabilities in lattices with power-law hoppings and interactions
    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 87, (2013) Link

  36. D. Haberer, L. Petaccia, A. Fedorov, C. Praveen, S. Fabris, S. Piccinin, O. Vilkov, D. Vyalikh, A. Preobrajenski, N. Verbitskiy, H. Shiozawa, J. Fink, M. Knupfer, B. Büchner & A. Grüneis
    Anisotropic Eliashberg function and electron-phonon coupling in doped graphene
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  37. L. Hromadová, R. Martoňák & E. Tosatti
    Structure change, layer sliding, and metallization in high-pressure MoS2
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  38. W.-J. Hu, F. Becca, A. Parola & S. Sorella
    Direct evidence for a gapless Z2 spin liquid by frustrating Néel antiferromagnetism
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  39. Y. Iqbal, F. Becca, S. Sorella & D. Poilblanc
    Gapless spin-liquid phase in the kagome spin-12 Heisenberg antiferromagnet
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  40. P. Jain, S. Moroni, M. Boninsegni & L. Pollet
    Demixing in symmetric supersolid mixtures
    Physical Review A - Atomic, Molecular, and Optical Physics 88, (2013) Link

  41. T. Jones, S. Piccinin & C. Stampfl
    Relativity and the nobility of gold
    Materials Chemistry and Physics 141, 14-17 (2013) Link

  42. A. Kartsev, D. Karlsson, A. Privitera & C. Verdozzi
    Three-dimensional dynamics of a fermionic Mott wedding-cake in clean and disordered optical lattices
    Scientific Reports 3, (2013) Link

  43. M. Kumar, O. Tal, R. Smit, A. Smogunov, E. Tosatti & J. Van Ruitenbeek
    Shot noise and magnetism of Pt atomic chains: Accumulation of points at the boundary
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  44. R. Kushawaha, M. Patanen, R. Guillemin, L. Journel, C. Miron, M. Simon, M. Piancastelli, C. Skates & P. Decleva
    From double-slit interference to structural information in simple hydrocarbons
    Proceedings of the National Academy of Sciences of the United States of America 110, 15201-15206 (2013) Link

  45. K. Kwapien, S. Piccinin & S. Fabris
    Energetics of water oxidation catalyzed by cobalt oxide nanoparticles: Assessing the accuracy of DFT and DFT+U approaches against coupled cluster Methods
    Journal of Physical Chemistry Letters 4, 4223-4230 (2013) Link

  46. N. Lanatà, H. Strand, G. Giovannetti, B. Hellsing, L. De'Medici & M. Capone
    Orbital selectivity in Hund's metals: The iron chalcogenides
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  47. F. Lechermann, L. Boehnke & D. Grieger
    Formation of orbital-selective electron states in LaTiO3/ SrTiO3 superlattices
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  48. A. Locatelli, C. Wang, C. Africh, N. Stojić, T. Menteş, G. Comelli & N. Binggeli
    Temperature-driven reversible rippling and bonding of a graphene superlattice
    ACS Nano 7, 6955-6963 (2013) Link

  49. T. Macrì & A. Trombettoni
    Tunneling of polarized fermions in 3D double wells
    Laser Physics 23, (2013) Link

  50. F. Mancarella, A. Trombettoni & G. Mussardo
    Statistical interparticle potential of an ideal gas of non-Abelian anyons
    Journal of Physics A: Mathematical and Theoretical 46, (2013) Link

  51. F. Mancarella, A. Trombettoni & G. Mussardo
    Statistical mechanics of an ideal gas of non-Abelian anyons
    Nuclear Physics B 867, 950-976 (2013) Link

  52. D. Mandelli, A. Vanossi & E. Tosatti
    Stick-slip nanofriction in trapped cold ion chains
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  53. R. Marega, F. De Leo, F. Pineux, J. Sgrignani, A. Magistrato, A. Naik, Y. Garcia, L. Flamant, C. Michiels & D. Bonifazi
    Functionalized Fe-filled multiwalled carbon nanotubes as multifunctional scaffolds for magnetization of cancer cells
    Advanced Functional Materials 23, 3173-3184 (2013) Link

  54. G. Mattioli, P. Giannozzi, A. Amore Bonapasta & L. Guidoni
    Reaction pathways for oxygen evolution promoted by cobalt catalyst
    Journal of the American Chemical Society 135, 15353-15363 (2013) Link

  55. G. Mazzucchi, L. Lepori & A. Trombettoni
    Semimetal-superfluid quantum phase transitions in 2D and 3D lattices with Dirac points
    Journal of Physics B: Atomic, Molecular and Optical Physics 46, (2013) Link

  56. T. Mizuno, J. Adachi, M. Kazama, M. Stener, P. Decleva & A. Yagishita
    Angular correlation between B K-VV auger electrons of BF3 molecules and coincident fragment ions: Manifestation of the difference between the angular correlation and molecular frame auger electron angular distribution
    Physical Review Letters 110, (2013) Link

  57. S. Naghavi, M. Fabrizio, T. Qin & E. Tosatti
    Electron-doped organics: Charge-disproportionate insulators and Hubbard-Fröhlich metals
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  58. M. Nava, D. Galli, S. Moroni & E. Vitali
    Dynamic structure factor for 3He in two dimensions
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  59. M.-T. Nguyen, N. Seriani & R. Gebauer
    Water adsorption and dissociation on α-Fe2O 3(0001): PBE+U calculations
    Journal of Chemical Physics 138, (2013) Link

  60. N. Nguyen, S. De Gironcoli & S. Piccinin
    Ag-Cu catalysts for ethylene epoxidation: Selectivity and activity descriptors
    Journal of Chemical Physics 138, (2013) Link

  61. E. Orlandini & C. Micheletti
    Knotting of linear DNA in nano-slits and nano-channels: A numerical study
    Journal of Biological Physics 39, 267-275 (2013) Link

  62. Y. Otsuka, S. Yunoki & S. Sorella
    Quantum Monte Carlo study of the half-filled Hubbard model on the honeycomb lattice
    Journal of Physics: Conference Series 454, (2013) Link

  63. A. Peronio, A. Cepellotti, S. Marchini, N. Abdurakhmanova, C. Dri, C. Africh, F. Esch, M. Peressi & G. Comelli
    NH3-NO coadsorption system on Pt(111). I. Structure of the mixed layer
    Journal of Physical Chemistry C 117, 21186-21195 (2013) Link

  64. S. Petretti, A. Saenz, A. Castro & P. Decleva
    Water molecules in ultrashort intense laser fields
    Chemical Physics 414, 45-52 (2013) Link

  65. G. Piccini, R. Havenith, R. Broer & M. Stener
    Gold nanowires: A time-dependent density functional assessment of plasmonic behavior
    Journal of Physical Chemistry C 117, 17196-17204 (2013) Link

  66. S. Piccinin, A. Sartorel, G. Aquilanti, A. Goldoni, M. Bonchio & S. Fabris
    Water oxidation surface mechanisms replicated by a totally inorganic tetraruthenium-oxo molecular complex
    Proceedings of the National Academy of Sciences of the United States of America 110, 4917-4922 (2013) Link

  67. J. Pohlmann, A. Privitera, I. Titvinidze & W. Hofstetter
    Trion and dimer formation in three-color fermions
    Physical Review A - Atomic, Molecular, and Optical Physics 87, (2013) Link

  68. S. Prestipino, A. Laio & E. Tosatti
    A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation
    Journal of Chemical Physics 138, (2013) Link

  69. A. Raji, S. Scandolo, M. Härting & D. Britton
    Probing the structure of iron at extreme conditions by X-ray absorption near-edge structure calculations
    High Pressure Research 33, 119-123 (2013) Link

  70. N. Richard, L. Martin-Samos, S. Girard, A. Ruini, A. Boukenter, Y. Ouerdane & J.-P. Meunier
    Oxygen deficient centers in silica: Optical properties within many-body perturbation theory
    Journal of Physics Condensed Matter 25, (2013) Link

  71. M. Ruggeri, S. Moroni & M. Boninsegni
    Quasi-2D liquid He3
    Physical Review Letters 111, (2013) Link

  72. A. Russomanno, A. Silva & G. Santoro
    Linear response as a singular limit for a periodically driven closed quantum system
    Journal of Statistical Mechanics: Theory and Experiment 2013, (2013) Link

  73. R. Sabatini, T. Gorni & S. De Gironcoli
    Nonlocal van der Waals density functional made simple and efficient
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  74. S. Saccani, C. Filippi & S. Moroni
    Minimum energy pathways via quantum Monte Carlo
    Journal of Chemical Physics 138, (2013) Link

  75. M. Sandri, M. Capone & M. Fabrizio
    Finite-temperature Gutzwiller approximation and the phase diagram of a toy model for V2O3
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  76. M. Sandri & M. Fabrizio
    Nonequilibrium dynamics in the antiferromagnetic Hubbard model
    Physical Review B - Condensed Matter and Materials Physics 88, (2013) Link

  77. G. Sclauzero & A. Dal Corso
    Efficient DFT+U calculations of ballistic electron transport: Application to Au monatomic chains with a CO impurity
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  78. J. Sgrignani & A. Magistrato
    First-principles modeling of biological systems and structure-based drug-design
    Current Computer-Aided Drug Design 9, 15-34 (2013)

  79. P. Silvestrelli
    Van der Waals interactions in density functional theory by combining the quantum harmonic oscillator-model with localized Wannier functions
    Journal of Chemical Physics 139, (2013) Link

  80. P. Silvestrelli & A. Ambrosetti
    Inclusion of screening effects in the van der Waals corrected DFT simulation of adsorption processes on metal surfaces
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  81. P. Silvi, D. Rossini, R. Fazio, G. Santoro & V. Giovannetti
    Matrix product state representation for slater determinants and configuration interaction states
    International Journal of Modern Physics B 27, (2013) Link

  82. N. Stojić, T. Menteş & N. Binggeli
    Self-organization in Pd/W(110): Interplay between surface structure and stress
    Journal of Physics Condensed Matter 25, (2013) Link

  83. L. Szabová, T. Skála, I. Matolínová, S. Fabris, M. Farnesi Camellone & V. Matolín
    Copper-ceria interaction: A combined photoemission and DFT study
    Applied Surface Science 267, 12-16 (2013) Link

  84. L. Tocchio, H. Feldner, F. Becca, R. Valentí & C. Gros
    Spin-liquid versus spiral-order phases in the anisotropic triangular lattice
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  85. D. Toffoli & P. Decleva
    Multiphoton core ionization dynamics of polyatomic molecules
    Journal of Physics B: Atomic, Molecular and Optical Physics 46, (2013) Link

  86. S. Turchini, D. Catone, N. Zema, G. Contini, T. Prosperi, P. Decleva, M. Stener, F. Rondino, S. Piccirillo, K. Prince & M. Speranza
    Conformational sensitivity in photoelectron circular dichroism of 3-methylcyclopentanone
    ChemPhysChem 14, 1723-1732 (2013) Link

  87. P. Umari, L. Giacomazzi, F. De Angelis, M. Pastore & S. Baroni
    Energy-level alignment in organic dye-sensitized TiO2 from GW calculations
    Journal of Chemical Physics 139, (2013) Link

  88. A. Vanossi, A. Benassi, N. Varini & E. Tosatti
    High-pressure lubricity at the meso- and nanoscale
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link

  89. A. Vanossi, N. Manini, M. Urbakh, S. Zapperi & E. Tosatti
    Colloquium: Modeling friction: From nanoscale to mesoscale
    Reviews of Modern Physics 85, 529-552 (2013) Link

  90. E. Vesselli, E. Monachino, M. Rizzi, S. Furlan, X. Duan, C. Dri, A. Peronio, C. Africh, P. Lacovig, A. Baldereschi, G. Comelli & M. Peressi
    Steering the chemistry of carbon oxides on a NiCu catalyst
    ACS Catalysis 3, 1555-1559 (2013) Link

  91. C. Wang, N. Stojić & N. Binggeli
    Optimal interface doping at La2/3Sr1/3MnO 3/SrTiO3(001) heterojunctions for spintronic applications
    Applied Physics Letters 102, (2013) Link

  92. Y. Wang, M. Lingenfelder, S. Fabris, G. Fratesi, R. Ferrando, T. Classen, K. Kern & G. Costantini
    Programming hierarchical supramolecular nanostructures by molecular design
    Journal of Physical Chemistry C 117, 3440-3445 (2013) Link

  93. R. Woulaché, A. Vanossi & N. Manini
    Influence of substrate potential shape on the dynamics of a sliding lubricant chain
    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 88, (2013) Link

  94. X. Zhang, G. Santoro, U. Tartaglino & E. Tosatti
    Dynamical phenomena in fast sliding nanotube models
    Philosophical Magazine 93, 922-948 (2013) Link

  95. S. Ziraldo & G. Santoro
    Relaxation and thermalization after a quantum quench: Why localization is important
    Physical Review B - Condensed Matter and Materials Physics 87, (2013) Link