Stefano Baroni - Dissemin

Papers authored by Stefano Baroni

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2011 Osman Baris Malcioglu, Ralph Gebauer, Dario Rocca, Stefano Baroni

TurboTDDFT - A code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory

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Tao Sun, Stefano Fabris, Stefano Baroni

Surface Precursors and Reaction Mechanisms for the Thermal Reduction of Graphene Basal Surfaces Oxidized by Atomic Oxygen

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2010 Koichiro Umemoto, Renata M. Wentzcovitch, Stefano de Gironcoli, Stefano Baroni

Order-disorder phase boundary between ice VII and VIII obtained by first principles

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Giuseppe Carleo, Federico Becca, Saverio Moroni, Stefano Baroni

Reptation quantum Monte Carlo algorithm for lattice Hamiltonians with a directed-update scheme

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Giuseppe Carleo, Saverio Moroni, Federico Becca, Stefano Baroni

Itinerant ferromagnetic phase of the Hubbard model

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Abdou-Ciss Wade, Hande Üstünel, Silvano Lizzit, Luca Petaccia, Andrea Goldoni, Djibril Diop, Hande Ü. Stünel, Hande Üstünel, Stefano Fabris, Stefano Baroni

Metallization of the C60/Rh(100) interface revealed by valence photoelectron spectroscopy and density functional theory calculations

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Paolo Umari, Geoffrey Stenuit, Stefano Baroni

GW quasiparticle spectra from occupied states only

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Stefano Baroni

, Ralph Gebauer, O. Bari? Malcio?lu, O. Bariş Malcioğlu, Malcioglu Ob, Yousef Saad, Paolo Umari, Jiawei Xian, Xian Jw

Harnessing molecular excited states with Lanczos chains

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Koichiro Umemoto, Renata M. Wentzcovitch, Stefano Baroni

, Stefano De Gironcoli

First-principles investigation of order-disorder phase boundary in ice

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S. Baroni

, P. Giannozzi, E. Isaev

Density-Functional Perturbation Theory for Quasi-Harmonic Calculations

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2009 Giuseppe Carleo, Saverio Moroni, Stefano Baroni

Zero-temperature dynamics of solidH4efrom quantum Monte Carlo simulations

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This paper is made freely available by the publisher.

Paolo Giannozzi, Stefano Baroni

, Chiarotti Gl, Nicola Bonini, Matteo Calandra, Roberto Car, Andrea Dal Corso, Carlo Cavazzoni, S. De Gironcoli, Davide Ceresoli, Guido L. Chiarotti, Matteo Cococcioni, Ismaila Dabo, Andrea Dal Corso, Stefano de Gironcoli and 23 other authors

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

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Dario Rocca, Ralph Gebauer, Filippo De Angelis, Mohammad K. Nazeeruddin, Stefano Baroni

Time-dependent density functional theory study of squaraine dye-sensitized solar cells

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P. Umari, Geoffrey Stenuit, Stefano Baroni

Optimal representation of the polarization propagator for large-scaleGWcalculations

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Liping Huang, Dario Rocca, Stefano Baroni

, Keith E. Gubbins, Marco Buongiorno Nardelli

Molecular design of photoactive acenes for organic photovoltaics

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2008 Paola Gava, Anton Kokalj

, Stefano de Gironcoli, Stefano Baroni

Adsorption of chlorine on Ag(111): No subsurface Cl at low coverage

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Lucia Vitali, Adriano Mosca Conte, Stefano Fabris, Susan Brink, Mario Ruben, Stefano Baroni

, Klaus Kern

Electronic structure of surface-supported bis(phthalocyaninato) terbium(III) single molecular magnets.

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Nataša Stojić, Andrea Dal Corso, Bo Zhou, Stefano Baroni

Ab initiosimulation of photoemission spectroscopy in solids: Plane-wave pseudopotential approach with applications to normal-emission spectra of Cu(001) and Cu(111)

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Dario Rocca, Ralph Gebauer, Yousef Saad, Stefano Baroni

Turbo charging time-dependent density-functional theory with Lanczos chains

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A. Kokalj

, P. Gava, S. Degironcoli, S. Baroni

What determines the catalyst's selectivity in the ethylene epoxidation reaction

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Papers authored by Stefano Baroni