Research Team Leaders

NameCityResearch Keywords
Simona AchilliMilan (Italy)ab initio electronic properties, quantum transport, DFT, graphene, organic-inorganic interfaces, solid state systems for quantum technologies
Irene AguileraAmsterdam (The Netherlands)many-body perturbation theory, topological insulators, 2D materials, spintronics
Carl-Olof AlmbladhLund (Sweden)correlation, time-dependence, non-equilibrium, spectroscopies
Claudio AttaccaliteMarseille (France)non linear optics, excited states, electron phonon coupling
Friedhelm BechstedtJena (Germany)many-body theory, optical properties, excotic matter, topology
Arjan BergerToulouse (France)density-functional theory, many-body perturbation theory, optical spectroscopy, photoemission spectroscopy
Silke BiermannPalaiseau (France)Non-perturbative many-body methods, dynamical mean field theory, GW+DMFT, electronic structure of correlated materials
Volker BlumDurham, NC (USA)Density Functional Theory, GW, BSE, all-electron, benchmarks and reproducibility, semiconductors, interfaces
Silvana BottiBochum (Germany)theoretical spectroscopy, machine learning, structural prediction, interfaces, energy materials
Fabien Bruneval Gif-sur-Yvette (France)
Elena CannucciaMarseille (France)Electronic Structure, Lattice Dynamics, Electron phonon coupling
Giancarlo CappelliniCagliari (Italy)Electronic excitations and optical properties of materials
Razvan CaracasParis (France)mineralogy, elasticity, phonons, Raman, extreme conditions, molecular dynamics
Claudia CardosoModena (Italy)condensed matter physics, DFT, ab initio calculations, MBPT
Fabio Caruso Kiel (Germany)
Mark E. CasidaGrenoble (France)electronic structure, spectroscopy, many-body theory, density-functional theory, organic electronics
Alberto CastroValladolid (Spain)TDDFT, optimal control, molecular dynamics, software development
Jean-Christophe CharlierLouvain-la-Neuve (Belgium)ab initio electronic properties and quantum transport in 2D systems
Letizia ChiodoRome (Italy)nanostructures, surfaces, interfaces, metals, metal oxides, proteins, optical properties
Pier Luigi CudazzoTrento (Italy)MBPT, electronic and optical properties of matter excitons, phonons and electron-phonon coupling
Gabriele D’AvinoGrenoble (France)multiscale modelling, environmental effects, molecular functional materials
Thierry DEUTSCHVoreppe (France)DFT, wavelets
Claudia DraxlBerlin (Germany)DFT, MBPT, GW, BSE, Raman, core-level spectroscopy, RIXS, 2D materials, hybrid materials, wide-gap oxides, perovskites
Roberto D’AgostaSan Sebastián (Spain)Tddft, transport, stochastic methods, thermoelectricity
Andrea FerrettiModena (Italy)photoemission spectroscopy, optics, GW, BSE, self-interaction corrections, spectral function, dynamical potentials
Guido FratesiMilano (Italy)Molecules, adsorption, core-level spectroscopy
Giorgia FugalloParis (France)DFT,DFPT, GW, BSE, theoretical spectroscopy, thermal transport, structural prediction, energy materials
Jürgen FurthmüllerJena (Germany)VASP, DFT/hybrids,, GW, BSE, total-energy and forces, dielectric functions, nitrides, oxides, SiGe, SiC, C, fuorides, bulk, surfaces, 2D-materials (graphene and friends)
Pablo García-González Madrid (Spain)
Juan Maria Garcia LastraKOngens Lyngby (Denmark )Batteries, solar cells
Matteo GattiPalaiseau (France)MBPT (GW,BSE), TDDFT, Photoemission and loss spectroscopies, Optical absorption
Christine GiorgettiPalaiseau (France)2d materials, tddft
Rex GodbyYork (United Kingdom)Many-electron effects in matter, time-dependent density-functional theory, many-body perturbation theory
Xavier GonzeLouvain-la-Neuve (Belgium)DFT, DFPT, Abinit
Marco Govoni Modena (Italy)
Vitaly GorelovPalaiseau (France)optical properties, quantum Monte Carlo, GW, BSE, TDDFT
Paola GoriRome (Italia)dft, many-body perturbation theory, optical properties, 2d systems
Hardy GrossJerusalem (Israel)Many-Body Theory, Density Functional Theory, Time-Dependent Density Functional Theory, Non-Adiabatic Effects, Superconductivity, Femto-and Atto-Second Phenomena, Geometric Phase Effects
Myrta GrüningBelfast (United Kingdom)nonlinear optics, band-gap offset at interfaces, theory and code development
Nicole HelbigLiège (Belgium)Method development, density functional theory, density matrix functional theory
Maria HellgrenParis (France)Many-body theory, TDDFT, ACFDT
Conor HoganRome (Italy)Surface science, 2D materials, organic molecules, yambo
Federico IoriBarcelona (Spain)heterogeneous catalysis, adsorption, ALD, deposition, hydrogen, CVD, coatings, metallurgy
Stefan KurthSan Sebastian (Spain)density functional theory, steady-state and time-dependent transport
Eleonora Luppi Paris (France)
Nicola ManiniMilano (Italy)friction, phonon dynamics, dissipation, carbon structures
Andrea MariniMonterotondo Stazione (Italy)Yambo, NEGF, MBPT, electron-phonon
Miguel MarquesJena (Germany)DFT, TDDFT, xc functional, superconductivity, materials design, machine learning, octopus, libxc
Margherita Marsili Bologna (Italy) 
Ivan MarriModena (Italy)Density Functional Theory, Many Body Perturbation Theory, Auger recombination, Carrier Multiplication, photocatalysis
Alejandro Molina Sanchez Valencia (Spain)
Elisa Molinari Modena (Italy)
Luca Molinari Milan (Italy)
Yann-Michel NiquetGrenoble (France)quantum materials and devices
Valerio OlevanoGrenoble (France)many-body, correlations, TDDFT, spectroscopy, excitations
Giovanni OnidaMilano (Italy)Surfaces, Optical Properties, Excitons, Hybrid Functionals, Carbon
Stefano OssiciniModena (Italy)firts principle calculations, nanostructures, photovoltaic
Maurizia PalummoRome (Italy)ab-initio GW BSE TDDFT excitons 2D materials surfaces organic compounds material for solar harvesting
Pasquale PavoneBerlin (Germany)lattice dynamics, code implementation, electron-phonon interaction
Enrico PerfettoRome (Italy)Non-Equilibrium Phenomena, Time-Resolved Spectroscopies
Roberta PoloniGrenoble (France)BSE/GW, MOFs, correlated materials
Samuel PoncéLouvain-la-Neuve (Belgium)electron-phonon, transport, mobility
Olivia PulciRome (Italy)DFT, TDDFT, GW, BSE, topological materials
Esa RäsänenTampere (Finland)quantum dynamics, coherent control, density-functional theory, time-series analysis
John RehrSeattle (USA)Excited states and spectroscopy theory
Lucia ReiningPalaiseau (France)Functionals, Many-Body Perturbation Theory, Time-Dependent Density Functional Theory
Gian-Marco RignaneseLouvain-la-Neuve (Belgium)vibrational properties, transport properties, high-throughput, machine learning
Patrick RinkeEspoo (Finland)GW, electronic structure theory, machine learning, theoretical spectroscopy
Pina RomanielloToulouse (France)MBPT, density matrix
Angel RubioHamburg (Germany)TDDFT, MPPT,, new states of matter, quantum materials, QEDFT
Davide SangalliMilano (Italy)Non equilibrium, Real Time, Exciton, Bethe Salpeter, Pump and Probe, Optics, Magento Optics,
Arno SchindlmayrPaderborn (Germany)many-body perturbation theory, GW approximation
Andre SchleifeUrbana (United States)first-principles simulations, computational materials science, TDDFT, MBPT
Rajarshi Sinha RoyLyon (France)DFT, TDDFT, Metal Clusters, Nanoalloys, Classical Optics, Semi-conductor alloys
Thibault SohierLiège (Belgium)Electron-phonon, 2D materials, density functional perturbation theory, transport
Francesco SottilePalaiseau (France)TDDFT, BSE
Lorenzo SponzaChâtillon (France)2D materials, excitons, dielectric function, environment
Gianluca Stefanucci Rome (Italy)
Kristian Thygesen Copenhagen (Denmark)
Ilya TokatlySan Sebastian (Spain)time-dependent density functional theory, many-body theory, QED, spintronics, superconductivity
Michiel van SettenLeuven (Belgium)GW, photo chemistry
Daniele VarsanoModena (Italy)Many Body Perturbation Theory, exciton condensation, low dimensional systems
Valerie VeniardPalaiseau (France)Non linear Optics, TDDFT
Claudio VerdozziLund (Sweden)Nonequilibrium correlated model systems , NEGF, (TD)DFT, ED, Quantum transport, disorder, spectroscopy, electron-phonon and magnetic interactions
Mathieu VerstraeteLiège (Belgium)spectroscopy, electronic structure, phonons, electron-phonon coupling, magnetism, ultrafast dynamics, open source software development
Ulf Von Barth Lund (Sweden)
Hans-Christian WeisskerMarseille (France)TDDFT, real-time, metal clusters, optical properties
Ludger WirtzLuxembourg (Luxembourg)exciton-phonon scattering, Raman spectroscopy, luminescence spectroscopy, 2D materials
Zeila ZanolliUtrecht (The Netherlands)quantum materials, topological materials, magnetism, quantum transport, real time spectroscopy, 2D layered materials