2010

37. Thermodynamic, electronic and structural properties of Cu/CeO2 surfaces and interfaces from first-principles DFT plus U calculations
L. Szabova, MF. Camellone, M. Huang, V. Matolin, S. Fabris, JOURNAL OF CHEMICAL PHYSICS 133, 234705 (2010)
36. Algorithmic differentiation and the calculation of forces by quantum Monte Carlo
S. Sorella, L. Capriotti, JOURNAL OF CHEMICAL PHYSICS 133, 234111 (2010)
35. First-principles investigation of order-disorder phase boundary in ice
K. Umemoto, RM. Wentzcovitch, S. Baroni, S. De Gironcoli, GEOCHIMICA ET COSMOCHIMICA ACTA 74, A1065 (2010)
34. Oriented Immobilization of Prion Protein Demonstrated via Precise Interfacial Nanostructure Measurements
B. Sanavio, D. Scaini, C. Grunwald, G. Legname, G. Scoles, L. Casalis, ACS NANO 4, 6607 (2010)
33. Extracting the Mott gap from energy measurements in trapped atomic gases
J. Carrasquilla, F. Becca, PHYSICAL REVIEW A 82, 053609 (2010)
32. Reptation quantum Monte Carlo algorithm for lattice Hamiltonians with a directed-update scheme
G. Carleo, F. Becca, S. Moroni, S. Baroni, PHYSICAL REVIEW E 82, 046710 (2010)
31. Order-disorder phase boundary between ice VII and VIII obtained by first principles
K. Umemoto, RM. Wentzcovitch, S. de Gironcoli, S. Baroni, CHEMICAL PHYSICS LETTERS 499, 236 (2010)
30. Suppression of Kondo-assisted cotunneling in a spin-1 quantum dot with spin-orbit interaction
P. Lucignano, M. Fabrizio, A. Tagliacozzo, PHYSICAL REVIEW B 82, 161306 (2010)
29. Long time dynamics following a quench in an integrable quantum spin chain: Local versus nonlocal operators and effective thermal behavior
D. Rossini, S. Suzuki, G. Mussardo, GE. Santoro, A. Silva, PHYSICAL REVIEW B 82, 144302 (2010)
28. Atomic Spin-Sensitive Dissipation on Magnetic Surfaces
F. Pellegrini, GE. Santoro, E. Tosatti, PHYSICAL REVIEW LETTERS 105, 146103 (2010)
27. Time-dependent mean field theory for quench dynamics in correlated electron systems.
Marco. Schiro, Michele. Fabrizio, Phys Rev Lett 105, 076401 (2010)
26. Efficient water oxidation at carbon nanotube-polyoxometalate electrocatalytic interfaces
FM. Toma, A. Sartorel, M. Iurlo, M. Carraro, P. Parisse, C. Maccato, S. Rapino, BR. Gonzalez, H. Amenitsch, T. Da Ros, L. Casalis, A. Goldoni, M. Marcaccio, G. Scorrano, G. Scoles, F. Paolucci, M. Prato, M. Bonchio, NATURE CHEMISTRY 2, 826 (2010)
25. Systematically convergent method for accurate total energy calculations with localized atomic orbitals
S. Azadi, C. Cavazzoni, S. Sorella, PHYSICAL REVIEW B 82, 125112 (2010)
24. New Trends in Nanotribology
O. Gulseren, N. Manini, E. Meyer, E. Tosatti, M. Urbakh, A. Vanossi, TRIBOLOGY LETTERS 39, 227 (2010)
23. Projector augmented-wave method: Application to relativistic spin-density functional theory
A. Dal Corso, PHYSICAL REVIEW B 82, 075116 (2010)
22. Parameter-free dissipation in simulated sliding friction
A. Benassi, A. Vanossi, GE. Santoro, E. Tosatti, PHYSICAL REVIEW B 82, 081401 (2010)
21. Tertiary Chiral Domains Assembled by Achiral Metal-Organic Complexes on Cu(110)
YL. Wang, S. Fabris, G. Costantini, K. Kern, JOURNAL OF PHYSICAL CHEMISTRY C 114, 13020 (2010)
20. Ballistic nanofriction
R. Guerra, U. Tartaglino, A. Vanossi, E. Tosatti, NATURE MATERIALS 9, 634 (2010)
19. Metallization of the C-60/Rh(100) interface revealed by valence photoelectron spectroscopy and density functional theory calculations
AC. Wade, S. Lizzit, L. Petaccia, A. Goldoni, D. Diop, H. Ustunel, S. Fabris, S. Baroni, JOURNAL OF CHEMICAL PHYSICS 132, 234710 (2010)
18. An Analysis of Conductive-Probe Atomic Force Microscopy Applied to the Study of Electron Transport Mediating Properties of Self-Assembled Monolayers
J. Liang, G. Scoles, JOURNAL OF PHYSICAL CHEMISTRY C 114, 10836 (2010)
17. Density-Functional Perturbation Theory for Quasi-Harmonic Calculations
S. Baroni, P. Giannozzi, E. Isaev, THEORETICAL AND COMPUTATIONAL METHODS IN MINERAL PHYSICS: GEOPHYSICAL 71, 39 (2010)
16. Enhanced Oxygen Buffering by Substitutional and Interstitial Ni Point Defects in Ceria: A First-Principles DFT plus U Study
XQ. Wang, MQ. Shen, J. Wang, S. Fabris, JOURNAL OF PHYSICAL CHEMISTRY C 114, 10221 (2010)
15. Characterization of the Bose-glass phase in low-dimensional lattices
J. Carrasquilla, F. Becca, A. Trombettoni, M. Fabrizio, PHYSICAL REVIEW B 81, 195129 (2010)
14. Interaction-induced Fermi-surface renormalization in the t(1)-t(2) Hubbard model close to the Mott-Hubbard transition
LF. Tocchio, F. Becca, C. Gros, PHYSICAL REVIEW B 81, 205109 (2010)
13. Direct mapping of the solid-liquid adhesion energy with subnanometre resolution
K. Voitchovsky, JJ. Kuna, SA. Contera, E. Tosatti, F. Stellacci, NATURE NANOTECHNOLOGY 5, 401 (2010)
12. Magnetism-induced ballistic conductance changes in palladium nanocontacts
P. Gava, A. Dal Corso, A. Smogunov, E. Tosatti, EUROPEAN PHYSICAL JOURNAL B 75, 57 (2010)
11. Entanglement renormalization and boundary critical phenomena
P. Silvi, V. Giovannetti, P. Calabrese, GE. Santoro, R. Fazio, JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT 75, L03001 (2010)
10. Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited
M. Casula, S. Moroni, S. Sorella, C. Filippi, JOURNAL OF CHEMICAL PHYSICS 132, 154113 (2010)
9. Microscopic calculation of the equation of state of nuclear matter and neutron star structure
S. Gandolfi, AY. Illarionov, S. Fantoni, JC. Miller, F. Pederiva, KE. Schmidt, MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 404, L35 (2010)
8. Destruction of Kondo correlations in a four electron quantum dot with spin-orbit interactions
P. Lucignano, M. Fabrizio, A. Tagliacozzo, PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 42, 860 (2010)
7. Strongly correlated metal interfaces in the Gutzwiller approximation
G. Borghi, M. Fabrizio, E. Tosatti, PHYSICAL REVIEW B 81, 115134 (2010)
6. GW quasiparticle spectra from occupied states only
P. Umari, G. Stenuit, S. Baroni, PHYSICAL REVIEW B 81, 115104 (2010)
5. Density functional perturbation theory within the projector augmented wave method
A. Dal Corso, PHYSICAL REVIEW B 81, 075123 (2010)
4. Ground-state properties of the disordered Hubbard model in two dimensions
ME. Pezzoli, F. Becca, PHYSICAL REVIEW B 81, 075106 (2010)
3. Harnessing molecular excited states with Lanczos chains
S. Baroni, R. Gebauer, OB. Malcioglu, Y. Saad, P. Umari, JW. Xian, JOURNAL OF PHYSICS-CONDENSED MATTER 22, 074204 (2010)
2. AFM dissipation topography of soliton superstructures in adsorbed overlayers
C. Negri, N. Manini, A. Vanossi, GE. Santoro, E. Tosatti, PHYSICAL REVIEW B 81, 045417 (2010)
1. Detection of Hybridization on Nanografted Oligonucleotides Using Scanning Near-Field Infrared Microscopy
I. Kopf, C. Grunwald, E. Brundermann, L. Casalis, G. Scoles, M. Havenith, JOURNAL OF PHYSICAL CHEMISTRY C 114, 1306 (2010)