Alumni of the Condensed Matter Theory Curriculum

Name Year Supervisors Thesis
Matteo Ferraretto 2024
  • Massimo Capone
  • Andrea Richaud
Novel quantum states in multicomponent fermionic systems
Francesca Paoletti 2024
  • Massimo Capone
  • Adriano Amaricci
Static and Dynamical Correlations in Topological Transitions
Pietro Torta 2024
  • Giuseppe Santoro
Quantum Approximate Optimization Algorithm and Variational Quantum Computing: from binary neural networks to ground state preparation
Gabriele Bellomia 2024
  • Massimo Capone
  • Adriano Amaricci
Quantum information insights into strongly correlated electrons
Mikheil Tsitsishvili 2024
  • Marcello Dalmonte
  • Michele Fabrizio
Many-body systems in and out of equilibrium
Nishan Ranabhat 2024
  • Mario Collura
Dynamics of full counting statistics, thermalization, and deconfinement transition in long range Ising model
Paolo Pegolo 2023
  • Stefano Baroni
Charge and heat transport in ionic conductors
Mandana Safari 2023
  • Stefano Baroni
  • Stefano de Gironcoli
Growth and redox of borophene on Al(111) substrate
Matej Badin 2023
  • Giuseppe Santoro
  • Roman Martoňák
Towards Realistic Simulations of Structural Transformations in Solids by Metadynamics
Ali Khosravi 2023
  • Erio Tosatti
  • Giuseppe Santoro
  • Andrea Vanossi
Friction, tribology and rheology at the atomic scale: from metal nanocontacts to 2D materials and graphene
Andrea Blason 2023
  • Michele Fabrizio
Electronic correlations in topological materials
Philip Christopher Cruz 2023
  • Alessandro Silva
Quantum Fisher information in non-interacting systems after a sudden quench
Neven Golenic 2023
  • Stefano de Gironcoli
Nanophotonics of Thin-film Materials: a Many-body Approach
Guglielmo Lami 2023
  • Mario Collura
Pushing the boundaries of Matrix Product States in quantum many-body physics and computing
Adu Offei-Danso 2022
  • Giuseppe Santoro
  • Ali Hassanali
  • Alex Rodriguez
Unsupervised Learning of the Structure and Dynamics of Liquid Water
Davide Tisi 2022
  • Stefano Baroni
Green-Kubo simulation of transport properties: from ab initio to neural-network molecular dynamics
Martino Stefanini 2022
  • Alessandro Silva
  • Massimo Capone
Studies on impurities moving in Tomonaga-Luttinger Liquids
Alberto Scazzola 2022
  • Massimo Capone
Interplay between electron-phonon interaction and electron-electron repulsion in multiorbital Hubbard models
Fabio Caleffi 2022
  • Massimo Capone
  • Alessio Recati
  • Iacopo Carusotto
Collective Modes and Strong Correlations from a Quantum Gutzwiller Ansatz
Riccardo Bertossa 2022
  • Stefano Baroni
Theory, codes, and numerical simulation of heat transport in multicomponent systems
Vittorio Vitale 2022
  • Marcello Dalmonte
  • Giuseppe Santoro
Probing and detecting entanglement in synthetic quantum matter
Lorenzo Fant 2022
  • Giuseppe Santoro
  • Jacopo Grilli
Stochastic ecology and evolution in bacterial communities
Lucas Kohn 2021
  • Giuseppe Santoro
Simulating non-equilibrium dynamics and finite temperature physics: efficient representations for matrix product states
Claudia Artiaco 2021
  • Michele Fabrizio
  • Antonello Scardicchio
Quantum effects in glasses at ultra-low temperatures
Matteo Seclì 2021
  • Massimo Capone
  • Iacopo Carusotto
  • Marco Schiró
Topology and Nonlinearity in Driven-Dissipative Photonic Lattices: Semiclassical and Quantum Approaches
Cristiano Malica 2021
  • Andrea Dal Corso
From ab-initio thermodynamics to quasi-harmonic thermoelastic properties of crystals: A new workflow and selected applications
Federica Surace 2021
  • Marcello Dalmonte
  • Alessandro Silva
Lattice gauge theories and constrained systems: from quantum simulation to non-equilibrium dynamics
Matteo Wauters 2020
  • Giuseppe Santoro
Adiabatic approaches to non-equilibrium systems: Topology, Optimization, and Learning
Andrea Urru 2020
  • Andrea Dal Corso
Lattice dynamics with Fully Relativistic Pseudopotentials for magnetic systems, with selected applications
Yusuf Shaidu 2020
  • Stefano de Gironcoli
Interatomic Potential for Li-C Systems from Cluster Expansion to Artificial Neural Network Techniques
Giulia Piccitto 2020
  • Alessandro Silva
Cluster mean-field dynamics of the long-range interacting Ising chain
Silvia Pappalardi 2020
  • Rosario Fazio
  • Alessandro Silva
Entanglement dynamics and chaos in long-range quantum systems
Jacopo Marcheselli 2020
  • Stefano Baroni
  • Marco Garavelli
  • Stefano Corni
Simulating Plasmon Enhancement of Optical Properties in Hybrid Metal-Organic Nanoparticles
Claudio Genovese 2020
  • Sandro Sorella
Geminal Power in QMC
Matteo Ferri 2020
  • Simone Piccinin
  • Stefano Fabris
  • Stefano de Gironcoli
Ab-initio Characterization of a Novel Photocathode for Water Splitting: Bulk and Surface Properties of CuFeO2
Lorenzo Crippa 2020
  • Massimo Capone
  • Adriano Amaricci
Local and non-local correlations in Topological Insulators and Weyl Semimetals
Karla Baumann 2020
  • Massimo Capone
Mott transition, topology, and magnetism of interacting fermions in confined geometries
Mattia Angeli 2020
  • Michele Fabrizio
Emergent phenomena in twisted Van der Waals materials
Martina Teruzzi 2019
  • Giuseppe Santoro
  • Erio Tosatti
  • Alessandro Laio
Markov State Modeling of 2D Nanofriction
Muhammad Nawaz Qaisrani 2019
  • Stefano Baroni
  • Ali A Hassanali
  • Ralph Gebauer
A Multi-scale Approach to Studying the Complexity in Glutamine Aggregates: Structure, Dynamics and Electronic Properties
Glen Bigan Mbeng 2019
  • Giuseppe Santoro
Quantum annealing and digital quantum ground state preparation algorithms
Deepak Bahadur Karki 2019
  • Michele Fabrizio
  • Mikhail Kiselev
Multi-color Fermi-liquid theory of quantum transport through a multilevel Kondo impurity
Juraj Hasik 2019
  • Federico Becca
Towards next-generation methods to optimize two-dimensional tensor networks: Algorithmic differentiation and applications to quantum magnets
Daniele Guerci 2019
  • Michele Fabrizio
  • Massimo Capone
Beyond simple variational approach for strongly electron systems
Francesco Ferrari 2019
  • Federico Becca
Static and dynamical properties of frustrated spin models
Luca Arceci 2019
  • Giuseppe Santoro
Dissipation effects in driven quantum many-body systems
Mariam Rusishvili 2018
  • Stefano Baroni
  • Alessandra Magistrato
Color optical properties of anthocyanins in solution: a multi-scale computational study
Simone Notarnicola 2018
  • Alessandro Silva
  • Rosario Fazio
Coupled quantum kicked rotors: a study about dynamical localization, slow heating and thermalization
Seher Karakuzu 2018
  • Sandro Sorella
Variational and auxiliary field Monte Carlo for the Hubbard and Hubbard-Holstein models: an accurate finite-size scaling and a "sign problem" solution
Francesco Grandi 2018
  • Michele Fabrizio
  • Adriano Amaricci
Mott insulators in disguise
Lorenzo Gigli 2018
  • Giuseppe Santoro
  • Erio Tosatti
Friction and adhesion of graphene nanoribbons on gold: an MD investigation
Loris Ercole 2018
  • Stefano Baroni
Ab Initio Simulation of Heat Transport in Silica Glass
Caterina De Franco 2018
  • Federico Becca
  • Luca Fausto Tocchio
Magnetism and Superconductivity in the Two-Band Hubbard Model: A Variational Monte Carlo Perspective
Maja Berovic 2018
  • Massimo Capone
Exploring Hund's correlated metals: charge instabilities and effect of selective interactions
Tommaso Zanca 2017
  • Giuseppe Santoro
Landau-Zener processes in out-of-equilibrium quantum physics
Nguyen Dung Tran 2017
  • Stefano Fabris
Stability and Reactivity of Supported Single-Atom Catalysts: Insight from Density Functional Theory
Lorenzo Privitera 2017
  • Giuseppe Santoro
Non-equilibrium aspects of topological Floquet quantum systems
Francesco Petocchi 2016
  • Massimo Capone
Competing interactions in correlated heterostructures
Francesco Peronaci 2016
  • Massimo Capone
Transient dynamics of unconventional superconductors: d-wave symmetry and strong correlations
Tommaso Gorni 2016
  • Stefano Baroni
Spin-fluctuation spectra in magnetic systems: a novel approach based on TDDFT
Lorenzo Del Re 2016
  • Massimo Capone
Multicomponent strongly correlated fermions in optical lattices
Nicolo Defenu 2016
  • Andrea Trombettoni
  • Stefano Ruffo
Applications of Functional Renormalization Group to Spin Systems and Long Range Models
Michele Ruggeri 2015
  • Saverio Moroni
Quantum Monte Carlo simulations of two dimensional 3He: low-density gas-liquid coexistence on substrates and iterative backflow wave functions for strongly correlated systems
Giacomo Mazza 2015
  • Michele Fabrizio
Non-Equilibrium Phenomena in Strongly Correlated Systems
Anna Maraga 2015
  • Alessandro Silva
  • Michele Fabrizio
Nonequilibrium dynamics in isolated quantum systems: absence of thermalization and dynamical phase transitions
Davide Mandelli 2015
  • Erio Tosatti
Sliding Nanofriction in Low Dimensional Model-Systems
Cong Huy Pham 2015
  • Stefano de Gironcoli
Molecular crystal structure prediction with evolutionary algorithm
Matteo Sandri 2014
  • Michele Fabrizio
The Gutzwiller Approach to out-of-equilibrium correlated fermions
Angelo Russomanno 2014
  • Giuseppe Santoro
Periodic driving of a coherent quantum many body system and relaxation to the Floquet diagonal ensemble
Guglielmo Mazzola 2014
  • Sandro Sorella
Metallization and dissociation in high pressure liquid hydrogen by an efficient molecular dynamics with quantum Monte Carlo
Aris Marcolongo 2014
  • Stefano Baroni
Theory and ab initio simulation of atomic heat transport
Ye Luo 2014
  • Sandro Sorella
Ab initio molecular dynamics of water by quantum Monte Carlo
Nicola Colonna 2014
  • Stefano de Gironcoli
Exchange and correlation energy in the adiabatic connection fluctuation-dissipation theory beyond RPA
Simone Ziraldo 2013
  • Giuseppe Santoro
Thermalization and relaxation after a quantum quench in disordered hamiltonians
Mohammad Zhian Asadzadeh 2013
  • Federico Becca
  • Michele Fabrizio
Interplay of superconductivity and magnetism in the two dimensional Kondo lattice model
Hu Wenjun 2013
  • Sandro Sorella
  • Federico Becca
Unconventional phases in doped or frustrated quantum antiferromagnets: a systematic Quantum Monte Carlo Study
Sebastiano Saccani 2013
  • Saverio Moroni
Quantum Monte Carlo studies of soft bosonic systems and minimum energy pathways
Xiao-Chuan Ge 2013
  • Stefano Baroni
  • Arrigo Calzolari
Seeing colors with TDDFT: theoretical modeling of the optical properties of natural dyes
Jiawei Xian 2012
  • Stefano Baroni
  • Paolo Umari
Electronic properties of gold nanoclusters from GW calculations
Riccardo Sabatini 2012
  • Stefano de Gironcoli
Non-local correlation in Density Functional Theory
Ngoc Linh Nguyen 2012
  • Stefano de Gironcoli
  • Simone Piccinin
Toward Realistic DFT Description of Complex Systems: Ethylene Epoxidation on Ag-Cu Alloys and RPA Correlation in van der Waals Molecules
Pier Paolo Baruselli 2012
  • Michele Fabrizio
  • Erio Tosatti
Kondo conductance anomalies from first principles
Mauro Iazzi 2012
  • Augusto Smerzi
  • Stefano Fantoni
Ginzburg-Landau description of superfluid layered fermions
Changru Ma 2012
  • Stefano Fabris
  • Simone Piccinin
Modeling Ru-based molecular catalysts for water oxidation
Hong-Yi Xie 2012
  • Michele Fabrizio
  • Vladimir Kravtsov
  • Markus Muller
Anderson Localization in Disordered Systems with Competing Channels
Davide Venturelli 2011
  • Denis Feinberg
  • Rosario Fazio
  • Vittorio Giovannetti
  • Fabio Taddei
Channel Mixing and Spin Transport in the Integer Quantum Hall Effect
Pietro Silvi 2011
  • Giuseppe Santoro
  • Rosario Fazio
  • Vittorio Giovannetti
Tensor Networks: a quantum-information perspective on numerical renormalization groups
Franco Pellegrini 2011
  • Erio Tosatti
  • Giuseppe Santoro
Quantum Dissipation at the Nanoscale
Emine Kucukbenli 2011
  • Stefano de Gironcoli
Nuclear Magnetic Resonance Study of Complex Molecular Crystals From First Principles: Case of Cholesterol
Giuseppe Carleo 2011
  • Stefano Baroni
  • Federico Becca
  • Saverio Moroni
Spectral and dynamical properties of strongly correlated systems
Giovanni Borghi 2011
  • Michele Fabrizio
  • Erio Tosatti
Gutzwiller Approximation applied to inhomogeneous lattice models and solid-state systems
Gabriele Sclauzero 2010
  • Andrea Dal Corso
Modeling CO adsorption on Pt and Au monatomic chains and nanocontacts
Marco Schiró 2010
  • Michele Fabrizio
Non equilibrium dynamics in strongly correlated systems
Yanier Crespo Hernandez 2010
  • Alessandro Laio
  • Giuseppe Santoro
  • Erio Tosatti
Calculating Thermodynamic Properties of Classical and Quantum Systems by a Metadynamics Monte Carlo Procedure
Juan Felipe Carrasquilla Alvarez 2010
  • Federico Becca
  • Michele Fabrizio
The Bose-Hubbard model with disorder in low-dimensional lattices
Tatiana Skrbic 2009
  • Saverio Moroni
  • Stefano Baroni
Dynamics of doped [4]He and [3]He clusters from reptation quantum Monte Carlo
Lorenzo Paulatto 2009
  • Stefano de Gironcoli
Ammonia Synthesis on Proton-enriched Palladium Substrate
Nicola Lanata 2009
  • Michele Fabrizio
The Gutzwiller variational approach to correlated systems
Tommaso Caneva 2009
  • Giuseppe Santoro
  • Rosario Fazio
Adiabatic dynamics of many-body systems close to a quantum critical point
Luca Fausto Tocchio 2008
  • Sandro Sorella
  • Federico Becca
A new variational wave function with backflow correlations for frustrated Hubbard models
Maria Elisabetta Pezzoli 2008
  • Michele Fabrizio
  • Federico Becca
Disorder and interaction: ground state properties of the disordered Hubbard model
Huy-Viet Nguyen 2008
  • Stefano de Gironcoli
Efficient calculation of RPA correlation energy in the adiabatic connection fluctuation-dissipation theory
Antonio Suriano 2007
  • Stefano Baroni
Quantum mechanical modeling of the chemical reactivity of metal surfaces: two case studies involving water formation and dissociation
Dario Rocca 2007
  • Stefano Baroni
  • Ralph Gebauer
Time-Dependent Density Functional Perturbation Theory New algorithms with applications to molecular spectra
Adriano Mosca Conte 2007
  • Stefano Baroni
  • Stefano Fabris
Quantum mechanical modeling of nano magnetism: new tools based on Density-Functional theory with case applications to solids, surfaces, wires, and molecules
Javier Antonio Montoya 2007
  • Sandro Scandolo
  • Roger Rousseau
Ab-initio study on synthesis of new materials at high pressure : transition-metal nitrides and non-molecular CO2 phases
Massimo Lugas 2007
  • Sandro Sorella
  • Federico Becca
d-wave Superconductivity and antiferromagnetism in strongly correlated systems by a new variational approach
Yungfeng Liang 2007
  • Sandro Scandolo
Modelling structure, phase transition, and vibrational spectroscopy of silica at extreme conditions
Sandra Patricia Gonzalez Camelo 2007
  • Stefano Fantoni
BCS superfluid Fermi systems with large scattering lenght
Paola Gava 2007
  • Stefano de Gironcoli
  • Anton Kokalj
Modeling the catalyst selectivity in the ethylene epoxidation reaction A first principles study
Stefano Paolini 2006
  • Stefano Baroni
  • Saverio Moroni
Rotational dynamics of molecular impurities of solvated 4He clusters: a computational study based on reptation quantum Monte Carlo
Michel Ferrero 2006
  • Michele Fabrizio
  • Federico Becca
Competing Mechanism in Strongly Correlated Systems Close to a Mott Insulator
Manuela Capello 2006
  • Sandro Sorella
  • Michele Fabrizio
  • Federico Becca
Variational description of Mott insulators
Tania Zykova 2005
  • Erio Tosatti
High temperature physics and nanofriction properties of alkali halide surfaces
Lorenzo Stella 2005
  • Giuseppe Santoro
  • Erio Tosatti
Studies of Classical and Quantum Annealing
Carlo Sbraccia 2005
  • Stefano Baroni
  • Pier Luigi Silvestrelli
Computer Simulation of Thermally Activated Processes: Theory, Algorithms, and a Few Case Applications to Surface Chemistry
Guido Fratesi 2005
  • Stefano de Gironcoli
Low temperature methane-to-methanol conversion on transition metal surfaces
Michele Casula 2005
  • Sandro Sorella
New QMC approaches for the simulation of electronic systems: a first application to aromatic molecules and transition metal compounds
Demian Battaglia 2005
  • Giuseppe Santoro
  • Riccardo Zecchina
Survey Propagation Methods For Efficient Optimization and Probing of Glassy States
Claudio Attaccalite 2005
  • Sandro Sorella
RVB phase of hydrogen at high pressure: towards the first ab-initio Molecular Dynamics by Quantum Monte Carlo
Lorenzo De Leo 2004
  • Michele Fabrizio
Non-Fermi liquid behavior in multi-orbital Anderson impurity models and possible relevance for strongly correlated lattice models
Evgenij Plekhanov 2003
  • Michele Fabrizio
  • Sandro Sorella
Hubbard U enhanced superconductivity
Giuliano Orso 2003
  • Pieralberto Marchetti
  • Lu Yu
Spin-charge gauge approach to HTS cuprates: theory versus experiments
Paola Mosconi 2003
  • Giuseppe Mussardo
Ghost models in two-dimensional condensed matter physics
Oleg Chalaev 2003
  • Vladimir Kravtsov
Nonequilibrium persistent current in mesoscopic disordered systems
Mahdi Zarea Ahmadabadi 2003
  • Alexander A. Nersesyan
  • Michele Fabrizio
Role of frustration in quantum spin chains and ladders: a field theory approach
Paul Tangney 2002
  • Sandro Scandolo
Improving molecular-dynamics simulations of simple ionic systems
Luca Dell'Anna 2002
  • Michele Fabrizio
  • Claudi Castellani
Disordered d-wave superconductors: the role of nesting and interactions in transport properties
Matteo Cococcioni 2002
  • Stefano de Gironcoli
A LDA+U study of selected iron compounds
Davide Ceresoli 2002
  • Erio Tosatti
Berry Phase Calculation of the Rotational and Pseudorotational g-factor in Molecules and Solids
Andrea Trombettoni 2001
  • Stefano Fantoni
  • Augusto Smerzi
Discrete Nonlinear Dynamics of Bose-Einstein Condensates
Geraldo Ballabio 2001
  • Erio Tosatti
  • Sandro Scandolo
  • Stefano de Gironcoli
Some Theoretical Surprises on a Germanium Surface
Gabriele Cipriani 2000
  • Andrea Dal Corso
  • Stefano de Gironcoli
  • Stefano Baroni
Ab-initio study of oxygen adsorption on selected transition metal surfaces
Luca Capriotti 2000
  • Sandro Sorella
Quantum effects and broken symmetry in frustrated antiferromagnets
Massimo Capone 2000
  • Michele Fabrizio
  • Erio Tosatti
The Mott Transition: Role of Frustration and Orbital Degeneracy
Federico Becca 2000
  • Sandro Sorella
Electronic properties driven by strong correlation
Michele Lazzeri 1999
  • Stefano de Gironcoli
A first principles study of the thermal expansion in some metallic surfaces
Alessandro Laio 1999
  • Guido Chiarotti
  • Sandro Scandolo
  • Erio Tosatti
Simulation of Iron at Earth's Core Conditions
Lorenzo De Santis 1999
  • Raffaele Resta
  • Paolo Carloni
Theory of electron localization function and its applications: Surfaces, impurities, and enzymatic catalysis
Matteo Calandra 1999
  • Sandro Sorella
Superconductivity from strong electron correlation
Daniele Passerone 1998
  • Erio Tosatti
  • Furio Ercolessi
  • Guido Chiarotti
Structural Order and Thermal Disorder at the Surface of Selected Crystals: Theory and Simulations
Stefano Giovanazzi 1998
  • Stefano Fantoni
  • Augusto Smerzi
Macroscopic Quantum Coherence Phenomena in Bose-Einstein Condensates
Cecilia Clementi 1998
  • Amos Maritan
Effective potentials for protein folding models
Carlo Cavazzoni 1998
  • Guido Chiarotti
  • Sandro Scandolo
Large Scale First-Principles Simulations of Water and Ammonia at High Pressure and Temperature
Claudio Tebaldi 1997
  • Attilio L. Stella
  • Amos Maritan
Rare events dominance in non equilibrium critical phenomena: selected examples
Antonino Marco Saitta 1997
  • Stefano de Gironcoli
  • Stefano Baroni
Theoretical study of the structural, thermodynamic, and electronic properties of a quaternary semiconductor alloy: (Zn, Mg)(S,Se)
Alice Ruini 1997
  • Raffaele Resta
  • Stefano Baroni
Dynamical Charges at Surfaces and Interfaces: their Role in the Schottky Barrier Problem
Orion Ciftja 1997
  • Stefano Fantoni
Variational Study of two Strongly Correlated Fermi Systems: Fractional Quantum Hall Effect and Atomic He3 at Zero Temperature
Dario Alfe 1997
  • Stefano Baroni
First Principles Study of Two Rhodium Surfaces upon Carbon-Monoxide and Oxygen Adsorption
Michele Vendruscolo 1996
  • Amos Maritan
Folding, stability and design of proteins
Zhong-Yi Lu 1996
  • Guido Chiarotti
  • Sandro Scandolo
  • Erio Tosatti
First Principles Study of Alpha-Sn Surfaces
Franjo Franjic 1996
  • Sandro Sorella
A Variational Approach to Strongly Correlated Systems
Alessandro Flammini 1996
  • Amos Maritan
Scaling behavior for models of river network
Paolo De Los Rios 1996
  • Amos Maritan
Strongly disordered systems from polymer statistics to phase transitions
Francesca Colaiori 1996
  • Amos Maritan
River networks dynamics, branching patterns and aggregation phenomena
Guido Caldarelli 1996
  • Amos Maritan
  • Attilio L. Stella
From Self Organized Criticality to Patterns Formation. Theoretical Aspects, Occurence in Nature
Lucian Anton 1996
  • Amos Maritan
Diffusion approach to non-equilibrium extremal dynamics
Nicola Manini 1995
  • Erio Tosatti
Electron-Vibron Coupling in Charged Fullerene, Berry Phase and Superconductivity
Francesco D. Di Tolla 1995
  • Furio Ercolessi
  • Erio Tosatti
Interplay of Melting, Wetting, Overheating and Faceting on Metal Surface: Theory and Simulations
Alberto Debernardi 1995
  • Stefano Baroni
Anharmonic Properties of Semiconductors from Density Functional Perturbation Theory
Claudia Bungaro 1995
  • Stefano Baroni
  • Stefano de Gironcoli
Dynamical Properties of Clean and H-covered W(110) Surfaces
Marco Airoldi 1995
  • Michele Fabrizio
  • Giuseppe Santoro
  • Alberto Parola
  • Erio Tosatti
Selected Problems in Strongly Correlated Electronic Models
Qingfeng Zhong 1994
  • Sandro Sorella
Numerical study of strongly correlated electron systems
Francesco Pederiva 1994
  • Stefano Fantoni
  • Luciano Reatto
Quantum theory of non-homogeneous phases of Helium
Francesco Mauri 1994
  • Roberto Car
New developments in quantum molecular dynamics: excited state dynamics and large scale simulations
Matteo Marsili 1994
  • Amos Maritan
From interface growth to dynamics in disordered media and self organized criticality
Paolo Focher 1994
  • Michele Parrinello
  • Guido Chiarotti
First-principle studies of structural phase transformations
Roman Martonak 1993
  • Erio Tosatti
Models of quantum paraelectric behaviour of Perovskites
Guido Goldoni 1993
  • Annalisa Fasolino
Properties of spin-orbit coupled bands in semiconductors heterostructures
Alberto Franceschetti 1993
  • Stefano Baroni
Density-functional theory without orbitals: a path towards very large scale electronic structure calculations
Michela Di Stasio 1993
  • Giuseppe Morandi
  • Arturo Tagliacozzo
From quantum Spins to correlated fermions: a new strong coupling method
Andrea Dal Corso 1993
  • Raffaele Resta
  • Stefano Baroni
Density Functional Theory beyond the Pseudopotential Local Density Approach: a Few Cases Studies
Marco Buongiorno Nardelli 1993
  • Stefano Baroni
Phonon softening and high-pressure low-simmetry phases of cesium halides from first-principles techniques
Marco Bernasconi 1993
  • Erio Tosatti
  • Guido Chiarotti
Ab initio calculation of structural and electronic properties of α-Ga surfaces
Xiaoqun Wang 1992
  • Stefano Fantoni
  • Erio Tosatti
  • Yu Lu
Variational studies on the Hubbard model within the FHNC theory
Pier Luigi Silvestrelli 1992
  • Stefano Baroni
  • Roberto Car
Auxiliary Field Quantum Monte Carlo for systems with repulsive Coulomb interaction
Giorgio Mazzeo 1992
  • Giancarlo Jug
  • Erio Tosatti
Interplay between surface in-plane ordering and roughening
Jose' Lorenzana 1992
  • Yu Lu
Doping states in cuprate oxide superconductors
Andrea Ferrante 1992
  • Stefano Fantoni
  • Mario P. Tosi
Auxiliary variables in classical and quantum liquids
Michele Fabrizio 1992
  • Erio Tosatti
  • Alberto Parola
New results for interacting Fermi systems: the 2D Hubbard model at low density and the two coupled chain problem
Pasquale Pavone 1991
  • Stefano Baroni
Lattice Dynamics of Semiconductors from Density-Functional Perturbation Theory
Miklos Gulacsi 1991
  • Andrea C. Levi
Study and solution of the five-vertex model
Ivan Stich 1990
  • Roberto Car
  • Michele Parrinello
First principles molecular dynamics study of liquid and amorphous silicon
Enrico Smargiassi 1990
  • Roberto Car
Lattice vacancies and diffusion processes in crystalline silicon: a first-principles molecular dynamics study
Xiaojie Chen 1990
  • Andrea C. Levi
  • Erio Tosatti
New theoretical results and simulations of surface melting
Zeenet Badirkhan 1990
  • Mario P. Tosi
Density functional theory of freezing: some applications
Qiming Zhang 1989
  • Annabella Selloni
  • Roberto Car
  • Michele Parrinello
First-principle molecular dynamics simulations of disordered GaAs
Linfang Xu 1989
  • Annabella Selloni
  • Michele Parrinello
Quantum molecular dynamics study of dilute Na-NaBr liquid solutions
Xiaoqian Wang 1989
  • Erio Tosatti
  • Stefano Fantoni
Correlated basis function method for fermions on a lattice: applications to the Hubbard model
Li Wang 1989
  • Mario P. Tosi
Concentration fluctuations in liquid metal alloys
Sandro Sorella 1989
  • Michele Parrinello
  • Stefano Baroni
  • Roberto Car
  • Erio Tosatti
A Novel Technique for the Simulation of Interacting Fermion Systems
Maria Peressi 1989
  • Alfonso Baldereschi
  • Stefano Baroni
Energy-Band Discontinuities at Lattice-Matched Semiconductor Heterojunctions
Francesco Buda 1989
  • Roberto Car
  • Michele Parrinello
Hydrogen in silicon: a first principles molecular dynamics study
Anna Bartolini 1988
  • Erio Tosatti
  • Furio Ercolessi
Low-index surfaces reconstruction and its influence on vicinal surfaces: the case of AU (100) and AU (111)
Francesco Ancilotto 1988
  • Annalisa Fasolino
  • Annabella Selloni
  • Erio Tosatti
Theoretical investigations of optical absorption and of tunneling behaviour of heterostructures in strong magnetic fields
Cai-zhuang Wang 1987
  • Erio Tosatti
  • Michele Parrinello
A molecular dynamics study of the displacive surface reconstruction phase transitions
Abdallah Qteish 1987
  • Raffaele Resta
Ab-initio study of Si-Ge alloys and ultra-thin superlattices
Furio Ercolessi 1987
  • Erio Tosatti
  • Michele Parinello
Molecular dynamics studies of gold: bulk, defects, surfaces and clusters
Giulia Galli 1986
  • Mario P. Tosi
On the structure and bonding of neutral and ionized molecules
Giorgio Pastore 1985
  • Mario P. Tosi
Theory of the structure of charged liquids and some applications
Sandro Massidda 1985
  • A. Baldereschi
Electronic properties of the compound with AlB2 structure. Self-consistent LAPW study of BeB2, AlB2, CaGa2, and TiB2
Andrzej Fleszar 1985
  • Raffaele Resta
Dielectric response in semiconductors: theory and applications
Jerzy Glazer 1984
  • Erio Tosatti
Theory of spin effects in electron-electron scattering in metals
Bruno D'Aguanno 1984
  • Mario P. Tosi
Freezing of ionic liquids in correlation to hot solid structure
Chun-Da Chen 1984
  • Erio Tosatti
Topics in the theory of two-dimensional electron systems
Eduardo Roman 1983
  • Mario P. Tosi
A study of physical properties of ionic systems
Chuan Hong Chen 1983
  • Michele Parrinello
Polymorphic transitions in alkali halides