Past PhD theses

2012

  1. Pier Paolo Baruselli
    Kondo conductance anomalies from first principles (pdf)
    Supervisors: Michele Fabrizio and Erio Tosatti
  2. Mauro Iazzi
    Ginzburg-Landau description of superfluid layered fermions
    Supervisors: Andrea Trombettoni and Stefano Fantoni
  3. Changru Ma
    Modeling Ru-based molecular catalysts for water oxidation (pdf)
    Supervisors: Stefano Fabris and Simone Piccinin
  4. Ngoc Linh Nguyen
    Toward Realistic DFT Description of Complex Systems:Ethylene Epoxidation on Ag-Cu Alloys and RPA Correlation in van der Waals Molecules (pdf)
    Supervisors: Stefano de Gironcoli and Simone Piccinin
  5. Riccardo Sabatini
    Non-local correlation in Density Functional Theory (pdf)
    Supervisor: Stefano de Gironcoli
  6. Jiawei Xian
    Electronic properties of gold nanoclusters from GW calculations (pdf)
    Supervisors: Stefano Baroni and Paolo Umari
  7. Hong-Yi Xie
    Anderson Localization in Disordered Systems with Competing Channels (pdf)
    Supervisors: Michele Fabrizio, Vladimir E. Kravtsov, and Markus Muller

2011

  1. Giovanni Borghi
    Gutzwiller Approximation applied to inhomogeneous lattice models and solid-state systems (pdf)
    Supervisors: Michele Fabrizio and Erio Tosatti
  2. Giuseppe Carleo
    Spectral and dynamical properties of strongly correlated systems (pdf)
    Supervisors: Stefano Baroni, Federico Becca, and Saverio Moroni
  3. Emine Kucukbenli
    Nuclear Magnetic Resonance Study of Complex Molecular Crystals From First Principles: Case of Cholesterol (pdf)
    Supervisor: Stefano de Gironcoli
  4. Franco Pellegrini
    Quantum Dissipation at the Nanoscale (pdf)
    Supervisors: Erio Tosatti and Giuseppe E. Santoro
  5. Pietro Silvi
    Tensor Networks: a quantum-information perspective on numerical renormalization groups (pdf)
    Supervisors: Giuseppe E. Santoro, Rosario Fazio, and Vittorio Giovannetti
  6. Davide Venturelli
    Channel Mixing and Spin Transport in the Integer Quantum Hall Effect (pdf)
    Supervisors: Denis Feinberg, Rosario Fazio, Vittorio Giovannetti, and Fabio Taddei

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2010

  1. Juan Felipe Carrasquilla Álvarez
    The Bose-Hubbard model with disorder in low-dimensional lattices (pdf)
    Supervisors: Federico Becca and Michele Fabrizio
  2. Yanier Crespo Hernández
    Calculating Thermodynamic Properties of Classical and Quantum Systems by a Metadynamics Monte Carlo Procedure (pdf)
    Supervisors: Alessandro Laio, Giuseppe Santoro, and Erio Tosatti
  3. Marco Schiró
    Nonequilibrium Dynamics in Strongly Correlated Systems (pdf)
    Supervisor: Michele Fabrizio
  4. Gabriele Sclauzero
    Modeling CO adsorption on Pt and Au monatomic chains and nanocontacts (pdf)
    Supervisor: Andrea Dal Corso

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2009

  1. Tommaso Caneva
    Adiabatic dynamics of many-body systems close to a quantum critical point (pdf)
    Supervisors: Giuseppe E. Santoro and Rosario Fazio
  2. Nicola Lanata
    The Gutzwiller variational approach to correlated systems (pdf)
    Supervisor: Michele Fabrizio
  3. Lorenzo Paulatto
    Ammonia Synthesis on Proton-enriched Palladium Substrate (pdf)
    Supervisor: Stefano de Gironcoli
  4. Tatjana Škrbić
    Dynamics of doped 4He and 3He clusters from reptation quantum Monte Carlo (pdf)
    Supervisors: Saverio Moroni and Stefano Baroni

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2008

  1. Huy-Viet Nguyen
    Efficient calculation of RPA correlation energy in the adiabatic connection fluctuation-dissipation theory (pdf)
    Supervisor: Stefano de Gironcoli
  2. Maria Elisabetta Pezzoli
    Disorder and interaction: ground state properties of the disordered Hubbard model (pdf)
    Supervisors: Michele Fabrizio and Federico Becca
  3. Luca Fausto Tocchio
    A new variational wave function with backflow correlations for frustrated Hubbard models (pdf)
    Supervisors: Sandro Sorella and Federico Becca

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2007

  1. Paola Gava
    Modeling the catalyst selectivity in the ethylene epoxidation reaction A first principles study (pdf)
    Supervisors: Stefano de Gironcoli and Anton Kokalj
  2. Sandra Patricia Gonzalez Camelo
    BCS superfluid Fermi systems with large scattering length (pdf)
    Supervisor: Stefano Fantoni
  3. Yunfeng Liang
    Modelling structure, phase transition, and vibrational spectroscopy of silica at extreme conditions (pdf)
    Supervisor: Sandro Scandolo
  4. Massimo Lugas
    d – wave Superconductivity and antiferromagnetism in strongly correlated systems by a new variational approach (pdf) (ps)
    Supervisors: Sandro Sorella and Federico Becca
  5. Javier Antonio Montoya Martinez
    Ab-initio study on synthesis of new materials at high pressure transition-metal nitrides and non-molecular CO2 phases (pdf)
    Supervisors: Sandro Scandolo and Roger Rousseau
  6. Adriano Mosca Conte
    Quantum mechanical modeling of nano magnetism: new tools based on Density-Functional theory with case applications to solids, surfaces, wires, and molecules (pdf)
    Supervisors: Stefano Baroni and Stefano Fabris
  7. Dario Rocca
    Time-Dependent Density Functional Perturbation Theory New algorithms with applications to molecular spectra (pdf)
    Supervisors: Stefano Baroni and Ralph Gebauer
  8. Antonio Suriano
    Quantum mechanical modeling of the chemical reactivity of metal surfaces: two case studies involving water formation and dissociation (pdf)
    Supervisor: Stefano Baroni

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2006

  1. Tommaso Caneva
    Quantum annealing dynamics of a disordered ising spin chain in transverse field
    Supervisors: Rosario Fazio and Giuseppe Santoro
  2. Manuela Capello
    Variational description of Mott insulators (pdf)
    Supervisors: Sandro Sorella, Federico Becca, and Michele Fabrizio
  3. Michel Ferrero
    Competing Mechanism in Strongly Correlated Systems Close to a Mott Insulator (pdf)
    Supervisors: Michele Fabrizio and Federico Becca
  4. Stefano Paolini
    Rotational dynamics of molecular impurities of solvated 4He clusters: a computational study based on reptation quantum Monte Carlo (pdf)
    Supervisors: Stefano Baroni and Saverio Moroni

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2005

  1. Claudio Attaccalite
    RVB phase of hydrogen at high pressure: towards the first ab-initio Molecular Dynamics by Quantum Monte Carlo (pdf)
    Supervisor: Sandro Sorella
  2. Demian Battaglia
    Survey Propagation Methods For Efficient Optimization and Probing of Glassy States (pdf)
    Supervisors: Giuseppe Santoro and Riccardo Zecchina
  3. Michele Casula
    New QMC approaches for the simulation of electronic systems: a first application to aromatic molecules and transition metal compounds (pdf)
    Supervisor: Sandro Sorella
  4. Guido Fratesi
    Low temperature methane-to-methanol conversion on transition metal surfaces (pdf)
    Supervisor: Stefano de Gironcoli
  5. Carlo Sbraccia
    Computer Simulation of Thermally Activated Processes (pdf)
    Supervisors: Stefano Baroni and Pier Luigi Silvestrelli
  6. Lorenzo Stella
    Studies of Classical and Quantum Annealing (pdf)
    Supervisors: Giuseppe Santoro and Erio Tosatti
  7. Tania Zykova Timan
    High temperature physics and nanofriction properties of alkali halide surfaces (pdf)
    Supervisor: Erio Tosatti

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2004

  1. Lorenzo De Leo
    Non-Fermi liquid behavior in multi-orbital Anderson impurity models and possible relevance for strongly correlated lattice models (pdf) (ps)
    Supervisor: Michele Fabrizio

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2003

  1. Mahdi Zarea Ahmadabadi
    Role of frustration in quantum spin chains and ladders: a field theory approach
    Supervisors: Alexander A. Nersesyan and Michele Fabrizio
  2. Oleg Chalaev
    Nonequilibrium persistent current in mesoscopic disordered systems (pdf) (ps)
    Supervisor: Vladimir Kravtsov
  3. Paola Mosconi
    Ghost models in two-dimensional condensed matter physics
    Supervisor: Giuseppe Mussardo
  4. Giuliano Orso
    Spin-charge gauge approach to HTS cuprates: theory versus experiments
    Supervisors: Pieralberto Marchetti and Lu Yu
  5. Evgeny Plekhanov
    Hubbard U enhanced superconductivity (pdf) (ps)
    Supervisors: Michele Fabrizio and Sandro Sorella

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2002

  1. Davide Ceresoli
    Berry Phase Calculation of the Rotational and Pseudorotational g-factor in Molecules and Solids (pdf) (ps)
    Supervisor: Erio Tosatti
  2. Matteo Cococcioni
    A LDA+U study of selected iron compounds (pdf) (ps)
    Supervisor: Stefano de Gironcoli
  3. Luca Dell’Anna
    Disordered d-wave superconductors: the role of nesting and interactions in transport properties (pdf) (ps)
    Supervisors: Michele Fabrizio and Claudio Castellani
  4. Paul Tangney
    Improving molecular-dynamics simulations of simple ionic systems (ps)
    Supervisor: Sandro Scandolo

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2001

  1. Gerardo Ballabio
    Some theoretical surprises on a germanium surface
    Supervisors: Erio Tosatti, Sandro Scandolo, and Stefano de Gironcoli
  2. Andrea Trombettoni
    Discrete Nonlinear Dynamics of Bose-Einstein Condensates (pdf)(ps)
    Supervisors: Stefano Fantoni and Augusto Smerzi

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2000

  1. Federico Becca
    Electronic properties driven by strong correlation
    Supervisor: Sandro Sorella
  2. Massimo Capone
    The Mott Transition: Role of Frustration and Orbital Degeneracy
    Supervisors: Michele Fabrizio and Erio Tosatti
  3. Luca Capriotti
    Quantum effects and broken symmetry in frustrated antiferromagnets
    Supervisor: Sandro Sorella
  4. Gabriele Cipriani
    Ab-initio study of oxygen adsorption on selected transition metal surfaces
    Supervisors: Andrea Dal Corso, Stefano de Gironcoli, and Stefano Baroni

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1999

  1. Matteo Calandra
    Superconductivity from strong electron correlation
    Supervisor: Sandro Sorella
  2. Lorenzo De Santis
    Theory of electron localization function and its applications: Surfaces, impurities, and enzymatic catalysis
    Supervisors: Raffaele Resta and Paolo Carloni
  3. Alessandro Laio
    Simulation of Iron at Earth’s Core Conditions
    Supervisors: Guido Chiarotti, Sandro Scandolo, and Erio Tosatti
  4. Michele Lazzeri
    A first principles study of the thermal expansion in some metallic surfaces
    Supervisor: Stefano de Gironcoli

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1998

  1. Carlo Cavazzoni
    Large Scale First-Principles Simulations of Water and Ammonia at High Pressure and Temperature
    Supervisors: Guido Chiarotti and Sandro Scandolo
  2. Cecilia Clementi
    Effective potentials for protein folding models
    Supervisor: Amos Maritan
  3. Stefano Giovanazzi
    Macroscopic Quantum Coherence Phenomena in Bose-Einstein Condensates
    Supervisors: Stefano Fantoni and Augusto Smerzi
  4. Daniele Passerone
    Structural Order and Thermal Disorder at the Surface of Selected Crystals: Theory and Simulations
    Supervisors: Erio Tosatti, Furio Ercolessi, and Guido Chiarotti

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1997

  1. Dario Alfè
    First Principles Study of Two Rhodium Surfaces upon Carbon-Monoxide and Oxygen Adsorption
    Supervisor: Stefano Baroni
  2. Orion Ciftja
    Variational Study of two Strongly Correlated Fermi Systems: Fractional Quantum Hall Effect and Atomic He3 at Zero Temperature
    Supervisor: Stefano Fantoni
  3. Alice Ruini
    Dynamical Charges at Surfaces and Interfaces: Their Role in the Schottky Barrier Problem
    Supervisors: Raffaele Resta and Stefano Baroni
  4. Antonino Marco Saitta
    Theoretical study of the structural, thermodynamic and electronic properties of quaternary semiconductor alloy: (Zn,Mg)(S,Se)
    Supervisors: Stefano de Gironcoli and Stefano Baroni
  5. Claudio Tebaldi
    Rare events dominance in non equilibrium critical phenomena: selected examples
    Supervisors: Attilio L. Stella and Amos Maritan

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1996

  1. Lucian Anton
    Diffusion approach to non-equilibrium extremal dynamics
    Supervisor: Amos Maritan
  2. Guido Caldarelli
    From self organized criticality to patters formation. Theoretical aspects, occurence in nature.
    Supervisors: Amos Maritan and Attilio L. Stella
  3. Francesca Colaiori
    River networks dynamics, branching patterns and aggregation phenomena
    Supervisor: Amos Maritan
  4. Paolo De Los Rios
    Strongly disordered systems from polymer statistics to phase transitions
    Supervisor: Amos Maritan
  5. Alessandro Flammini
    Scaling behavior for models of river network
    Supervisor: Amos Maritan
  6. Franjo Franjic
    A Variational Approach to Strongly Correlated Systems
    Supervisor: Sandro Sorella
  7. Zhong-Yi Lu
    First-principles study of a-Sn surfaces
    Supervisors: Guido Chiarotti, Sandro Scandolo, and Erio Tosatti
  8. Michele Vendruscolo
    Folding, stability and design of proteins.
    Supervisor: Amos Maritan

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1995

  1. Marco Airoldi
    Selected Problems in Strongly Correlated Electronic Models
    Supervisors: Michele Fabrizio, Giuseppe Santoro, Alberto Parola, and Erio Tosatti
  2. Claudia Bungaro
    Dynamical Properties of Clean and H-covered W(110) Surfaces
    Supervisors: Stefano Baroni and Stefano de Gironcoli
  3. Alberto Debernardi
    Anharmonic Properties of Semiconductors from Density Functional Perturbation Theory
    Supervisor: Stefano Baroni
  4. Francesco D. Di Tolla
    Interplay of Melting, Wetting, Overheating and Faceting on Metal Surface: Theory and Simulations
    Supervisors: Furio Ercolessi and Erio Tosatti
  5. Nicola Manini
    Electron-Vibron Coupling in Charged Fullerene, Berry Phase and Superconductivity
    Supervisor: Erio Tosatti

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1994

  1. Paolo Focher
    First-principle studies of structural phase transformations
    Supervisors: Michele Parrinello and Guido Chiarotti
  2. Francesco Mauri
    New developments in quantum molecular dynamics: excited state dynamics and large scale simulations
    Supervisor: Roberto Car
  3. Matteo Marsili
    From interface growth to dynamics in disordered media and self organized criticality
    Supervisor: Amos Maritan
  4. Francesco Pederiva
    Quantum theory of non-homogeneous phases of Helium
    Supervisors: Stefano Fantoni and Luciano Reatto
  5. Qingfeng Zhong,
    Numerical study of strongly correlated electron systems
    Supervisor: Sandro Sorella

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1993

  1. Marco Bernasconi
    Ab initio calculation of structural and electronic properties of alfa-Ga surfaces
    Supervisors: Erio Tosatti and Guido Chiarotti
  2. Marco Buongiorno Nardelli
    Phonon softening and high-pressure low-simmetry phases of cesium halides from first-principles techniques
    Supervisor: Stefano Baroni
  3. Andrea Dal Corso
    Density Functional Theory beyond the Pseudopotential Local Density Approach: a Few Cases Studies
    Supervisors: Raffaele Resta and Stefano Baroni
  4. Michela Di Stasio
    From quantum Spins to correlated fermions: a new strong coupling method
    Supervisors: Giuseppe Morandi and Arturo Tagliacozzo
  5. Alberto Franceschetti
    Density-functional theory without orbitals: a path towards very large scale electronic structure calculations
    Supervisor: Stefano Baroni
  6. Guido Goldoni
    Properties of spin-orbit coupled bands in semiconductors heterostructures
    Supervisor: Annalisa Fasolino
  7. Roman Martonak
    Models of quantum paraelectric behaviour of Perovskites
    Supervisor: Erio Tosatti

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1992

  1. Michele Fabrizio
    New results for interacting Fermi systems: the 2D Hubbard model at low density and the two coupled chain problem
    Supervisors: Erio Tosatti and Alberto Parola
  2. Andrea Ferrante
    Auxiliary variables in classical and quantum liquids
    Supervisors: Stefano Fantoni and Mario P. Tosi
  3. Jose’ Lorenzana
    Doping states in cuprate oxide superconductors
    Supervisor: Yu Lu
  4. Giorgio Mazzeo
    Interplay between surface in-plane ordering and roughening
    Supervisors: Giancarlo Jug and Erio Tosatti
  5. Pier Luigi Silvestrelli
    Auxiliary field quantum Monte Carlo for systems with repusive Coulomb interactions
    Supervisors: Stefano Baroni and Roberto Car
  6. Xiaoqun Wang
    Variational studies on the Hubbard model within the FHNC theory
    Supervisors: Stefano Fantoni, Erio Tosatti, and Yu Lu

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1991

  1. Miklos Gulacsi
    Study and solution of the five-vertex model
    Supervisor: Andrea C. Levi
  2. Pasquale Pavone
    Lattice Dynamics of Semiconductors from Density-Functional Perturbation Theory
    Supervisor: Stefano Baroni

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1990

  1. Zeenet Badirkhan
    Density functional theory of freezing: some applications
    Supervisor: Mario P. Tosi
  2. Xiajie Chen
    New theoretical results and simulations of surface melting
    Supervisors: Andrea C. Levi, Erio Tosatti
  3. Enrico Smargiassi
    Lattice vacancies and diffusion processes in crystalline silicon: a first-principles molecular dynamics study
    Supervisor: Roberto Car
  4. Ivan Stich
    First principles molecular dynamics study of liquid and amorphous silicon
    Supervisors: Roberto Car and Michele Parrinello

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1989

  1. Francesco Buda
    Hydrogen in silicon: a first principles molecular dynamics study
    Supervisors: Roberto Car and Michele Parrinello
  2. Maria Peressi
    Energy-band discontinuities at lattice-matched semiconductor heterojunctions
    Supervisors: Alfonso Baldereschi and Stefano Baroni
  3. Sandro Sorella
    A novel technique for the simulation of interacting fermion systems
    Supervisors: Michele Parrinello, Stefano Baroni, Roberto Car, and Erio Tosatti
  4. Li Wang
    Concentration fluctuations in liquid metal alloys
    Supervisor: Mario P. Tosi
  5. Xiaoqian Wang
    Correlated basis function method for fermions on a lattice: applications to the Hubbard model
    Supervisors: Erio Tosatti and Stefano Fantoni
  6. Qiming Zhang
    First-principle molecular dynamics simulations of disordered GaAs
    Supervisors: Annabella Selloni, Roberto Car, and Michele Parrinello
  7. Linfang Xu
    Quantum molecular dynamics study of dilute Na-NaBr liquid solutions
    Supervisors: Annabella Selloni and Michele Parrinello

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1988

  1. Francesco Ancilotto
    Theoretical investigations of optical absorption and of tunneling behaviour of heterostructures in strong magnetic fields
    Supervisors: Annalisa Fasolino, Annabella Selloni, and Erio Tosatti
  2. Anna Bartolini
    Low-index surfaces reconstruction and its influence on vicinal surfaces: the case of AU (100) and AU (111)
    Supervisors: Erio Tosatti and Furio Ercolessi

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1987

  1. Furio Ercolessi
    Molecular dynamics studies of gold: bulk, defects, surfaces and clusters
    Supervisors: Erio Tosatti and Michele Parinello
  2. Abdallah Qteish
    Ab-initio study of Si-Ge alloys and ultra-thin superlattices
    Supervisor: Raffaele Resta
  3. Cai-zhuang Wang
    A molecular dynamics study of the displacive surface recostruction phase transitions
    Supervisors: Erio Tosatti and Michele Parrinello

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1986

  1. Giulia Galli
    On the structure and bonding of neutral and ionized molecules
    Supervisor: Mario P. Tosi

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1985

  1. Andrzej Fleszar
    Dielectric response in semiconductors: theory and applications
    Supervisor: Raffaele Resta
  2. Sandro Massidda
    Electronic properties of the compound with AlB2 structure. Self-consistent LAPW study of BeB2, AlB2, CaGa2, and TiB2
    Supervisor: A. Baldereschi
  3. Giorgio Pastore
    Theory of the structure of charged liquids and some applications
    Supervisor: Mario P. Tosi

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1984

  1. Chun-Da Chen
    Topics in the theory of two-dimensional electron systems
    Supervisor: Erio Tosatti
  2. Bruno D’aguanno
    Freezing of ionic liquids in correlation to hot solid structure
    Supervisor: Mario P. Tosi
  3. Jerzy Glazer
    Theory of spin effects in electron-electron scattering in metals
    Supervisor: Erio Tosatti

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1983

  1. Chuan hong Chen
    Polymorphic transitions in alkali halides
    Supervisor: Michele Parinello
  2. Eduardo Roman
    A study of physical properties of ionic systems
    Supervisor: Mario P. Tosi

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