| 39. | Linearized auxiliary fields Monte Carlo technique: Efficient sampling of the fermion sign S. Sorella, PHYSICAL REVIEW B 84, 241110 (2011) |
| 38. | Oxygen Dissociation by Concerted Action of Di-Iron Centers in Metal-Organic Coordination Networks at Surfaces: Modeling Non-Heme Iron Enzymes S. Fabris, S. Stepanow et al., NANO LETTERS 11, 5414 (2011) |
| 37. | Dual Path Mechanism in the Thermal Reduction of Graphene Oxide R. Larciprete, S. Fabris, T. Sun, P. Lacovig, A. Baraldi, and S. Lizzit, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133, 17315 (2011) |
| 36. | Theory of the reentrant quantum rotational phase transition in high-pressure HD Y. Crespo, A. Laio, G. Santoro, and E. Tosatti, PHYSICAL REVIEW B 83, 144119 (2011) |
| 35. | Ultrasoft pseudopotentials and projector augmented-wave data sets: application to diatomic molecules A. Adllan, A. Dal Corso, JOURNAL OF PHYSICS-CONDENSED MATTER 23, 425501 (2011) |
| 34. | Dielectric and Thermal Effects on the Optical Properties of Natural Dyes: A Case Study on Solvated Cyanin O. Malcioglu, A. Calzolari, R. Gebauer, D. Varsano, S. Baroni, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133, 15425 (2011) |
| 33. | Periodic box Fermi hypernetted chain calculations of neutron star crustal matter N. Bassan, S. Fantoni, K. Schmidt, PHYSICAL REVIEW C 84, 035807 (2011) |
| 32. | Fate of the Resonating Valence Bond in Graphene M. Marchi, S. Azadi, S. Sorella, PHYSICAL REVIEW LETTERS 107, 086807 (2011) |
| 31. | Photoelectron properties of DNA and RNA bases from many-body perturbation theory X. Qian, P. Umari, N. Marzari, PHYSICAL REVIEW B 84, 075103 (2011) |
| 30. | How localized bosons manage to become superfluid L. Dell’Anna, M. Fabrizio, JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT 84, P08004 (2011) |
| 29. | Crossover from Adiabatic to Antiadiabatic Quantum Pumping with Dissipation F. Pellegrini, C. Negri, F. Pistolesi, N. Manini, G. Santoro, E. Tosatti, PHYSICAL REVIEW LETTERS 107, 060401 (2011) |
| 28. | turboTDDFT – A code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory O. Malcioglu, R. Gebauer, D. Rocca, S. Baroni, COMPUTER PHYSICS COMMUNICATIONS 182, 1744 (2011) |
| 27. | Vibrational properties of vitreous GeSe(2) with the Becke-Lee-Yang-Parr density functional L. Giacomazzi, C. Massobrio, A. Pasquarello, JOURNAL OF PHYSICS-CONDENSED MATTER 23, 295401 (2011) |
| 26. | Projected wave function study of Z(2) spin liquids on the kagome lattice for the spin-1/2 quantum Heisenberg antiferromagnet Y. Iqbal, F. Becca, D. Poilblanc, PHYSICAL REVIEW B 84, 020407 (2011) |
| 25. | Speeding up critical system dynamics through optimized evolution T. Caneva, T. Calarco, R. Fazio, G. Santoro, S. Montangero, PHYSICAL REVIEW A 84, 012312 (2011) |
| 24. | Applicability of the generalized Gibbs ensemble after a quench in the quantum Ising chain T. Caneva, E. Canovi, D. Rossini, G. Santoro, A. Silva, JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT 84, P07015 (2011) |
| 23. | Proximity of iron pnictide superconductors to a quantum tricritical point G. Giovannetti, C. Ortix, M. Marsman, M. Capone, J. van den Brink, J. Lorenzana, NATURE COMMUNICATIONS 2, 398 (2011) |
| 22. | Sliding over a Phase Transition A. Benassi, A. Vanossi, G. Santoro, E. Tosatti, PHYSICAL REVIEW LETTERS 106, 256102 (2011) |
| 21. | Structure and Molecule-Substrate Interaction in a Co-octaethyl Porphyrin Monolayer on the Ag(110) Surface M. Fanetti, A. Calzolari, P. Vilmercati, C. Castellarin-Cudia, P. Borghetti, G. Di Santo, L. Floreano, A. Verdini, A. Cossaro, I. Vobornik, E. Annese, F. Bondino, S. Fabris, A. Goldoni, JOURNAL OF PHYSICAL CHEMISTRY C 115, 11560 (2011) |
| 20. | Bose-glass, superfluid, and rung-Mott phases of hard-core bosons in disordered two-leg ladders J. Carrasquilla, F. Becca, M. Fabrizio, PHYSICAL REVIEW B 83, 245101 (2011) |
| 19. | Backflow correlations in the Hubbard model: An efficient tool for the study of the metal-insulator transition and the large-U limit L. Tocchio, F. Becca, C. Gros, PHYSICAL REVIEW B 83, 195138 (2011) |
| 18. | Density-dependent nucleon-nucleon interaction from three-nucleon forces A. Lovato, O. Benhar, S. Fantoni, A. Illarionov, K. Schmidt, PHYSICAL REVIEW C 83, 054003 (2011) |
| 17. | Stability of Intermediate States for Ethylene Epoxidation on Ag-Cu Alloy Catalyst: A First-Principles Investigation N. Nguyen, S. Piccinin, S. de Gironcoli, JOURNAL OF PHYSICAL CHEMISTRY C 115, 10073 (2011) |
| 16. | Quantum quenches in the Hubbard model: Time-dependent mean-field theory and the role of quantum fluctuations M. Schiro, M. Fabrizio, PHYSICAL REVIEW B 83, 165105 (2011) |
| 15. | Electronic correlation effects in superconducting picene from ab initio calculations G. Giovannetti, M. Capone, PHYSICAL REVIEW B 83, 134508 (2011) |
| 14. | Phase diagram of hard-core bosons on a zigzag ladder D. Rossini, V. Lante, A. Parola, F. Becca, PHYSICAL REVIEW B 83, 155106 (2011) |
| 13. | Valence electronic structure of the indene molecule: Experiment vs. GW calculations P. Umari, C. Castellarin-Cudia, V. Feyer, G. Di Santo, P. Borghetti, L. Sangaletti, G. Stenuit, A. Goldoni, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248, 960 (2011) |
| 12. | Quantum quenches, thermalization, and many-body localization E. Canovi, D. Rossini, R. Fazio, G. Santoro, A. Silva, PHYSICAL REVIEW B 83, 094431 (2011) |
| 11. | Surface Precursors and Reaction Mechanisms for the Thermal Reduction of Graphene Basal Surfaces Oxidized by Atomic Oxygen T. Sun, S. Fabris, S. Baroni, JOURNAL OF PHYSICAL CHEMISTRY C 115, 4730 (2011) |
| 10. | Phase diagram of soft-core bosons in two dimensions S. Saccani, S. Moroni, M. Boninsegni, PHYSICAL REVIEW B 83, 092506 (2011) |
| 9. | Tuning the Morphology of Gold Clusters by Substrate Doping N. Mammen, S. Narasimhan, S. de Gironcoli, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133, 2801 (2011) |
| 8. | Valence-bond crystal in the extended kagome spin-1/2 quantum Heisenberg antiferromagnet: A variational Monte Carlo approach Y. Iqbal, F. Becca, D. Poilblanc, PHYSICAL REVIEW B 83, 100404 (2011) |
| 7. | Enhanced Chemical Reactivity of Under-Coordinated Atoms at Pt-Rh Bimetallic Surfaces: A Spectroscopic Characterization A. Baraldi, L. Bianchettin, S. de Gironcoli, E. Vesselli, S. Lizzit, L. Petaccia, G. Comelli, R. Rosei, JOURNAL OF PHYSICAL CHEMISTRY C 115, 3378 (2011) |
| 6. | Finite Temperature Properties of Clusters by Replica Exchange Metadynamics: The Water Nonamer Y. Zhai, A. Laio, E. Tosatti, X. Gong, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133, 2535 (2011) |
| 5. | Accelerating GW calculations with optimal polarizability basis P. Umari, X. Qian, N. Marzari, G. Stenuit, L. Giacomazzi, S. Baroni, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248, 527 (2011) |
| 4. | Nanofriction in cold ion traps A. Benassi, A. Vanossi, E. Tosatti, NATURE COMMUNICATIONS 2, 236 (2011) |
| 3. | Ab initio calculations for the beta-tin diamond transition in silicon: Comparing theories with experiments S. Sorella, M. Casula, L. Spanu, A. Dal Corso, PHYSICAL REVIEW B 83, 075119 (2011) |
| 2. | Itinerant ferromagnetic phase of the Hubbard model G. Carleo, S. Moroni, F. Becca, S. Baroni, PHYSICAL REVIEW B 83, 060411 (2011) |
| 1. | A first principles study of water oxidation catalyzed by a tetraruthenium-oxo core embedded in polyoxometalate ligands S. Piccinin, S. Fabris, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, 7666 (2011) |
2011
