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Displaying 36 authors out of 36
AITOR BERGARA (Universidad del Pais Vasco, Bilbao, Spain)
Pressure Induced Complexity in Light Alkalies
ALESSANDRO DE VITA (Universita di Trieste, Italy)
Mechanical properties of brittle solids studied with the "learn on the fly" hybrid MD scheme
ANNABELLA SELLONI (Princeton University, USA)
Defects on TiO2 surfaces
ANTOINE GEORGES (Ecole Polytechnique, Palaiseau, France)
Electronic structure of strongly correlated systems with dynamical mean-field theory: status report and perspectives
AXEL SVANE (University of Aarhus, Denmark)
Self-interaction correlation calculations of f-electron materials
BENGT LUNDQVIST (Chalmers University of Technology, Gothenburg, Sweden)
Promising path to DFT for sparse matter - a functional with Van der Waals interactions
DARIO ESTRIN (University of Buenos Aires, Argentina)
Exploring Chemical Reactivity in Biological Systems with Hybrid QM/MM Methods
DAVID CEPERLEY (University of Illinois @ Urbana-Champaign, USA)
Quantum Monte Carlo Simulations of Dense Hydrogen
DAVID DRABOLD (Ohio University, Athens, USA)
Simulations of Hydrogenated Amorphous Silicon
EVA PAVARINI (IFF, Juelich, Germany)
Electronic structure trends in transition metal oxides: the NMTO+DMFT approach
FABIEN BRUNEVAL (Ecole Polytechnique, Palaiseau, France)
Self-consistent GW electronic structure of solids
FEDERICO CAPASSO (Harvard University, Cambridge, USA)
Harnessing quantum fluctuations: design, physics and nanomechanics of Casimir-Lifshitz forces and QED torques
FELICIANO GIUSTINO (University of California @ Berkeley, USA)
Electron-Phonon interaction with electron and lattice Wannier functions and superconductivity in Boron-doped diamond
FRANCESCO MAURI (Université Pierre et Marie Curie, Paris, France)
Non-adiabatic vibrations in doped graphene
GERBRAND CEDER (MIT, Cambridge, USA)
The first principle prediction of crystal structure by combining knowledge methods with first principles energy methods
HADI AKBARZADEH (Isfahan University of Technology, Iran)
Ab-initio study of Co2MnSi (001) surface and Co2MnSi/GaAs (001) interface
IGOR ABRIKOSOV (Linkoping University, Sweden)
Ab-initio theory of alloys: new possibilities for materials design
IGOR MAZIN (Naval Research Laboratory, Washington, USA)
Charge ordering as alternative to Jahn-Teller distortion
ILYA TOKATLY (Moscow Instit. of Electronic Tech., Russia / Universitat Erlangen-Numberg, Germany)
Quantum mechanics in a commoving frame: An emergence of time-dependent deformation functional theory
JOSHUA ZAK (Technion, Haifa, Israel)
von Neumann Lattices and Wannier Functions
KIERON BURKE (University of California, Irvine, USA)
Time-dependent density functional theory: An overview
MARVIN COHEN (University of California, Berkeley, USA)
The Evolution of the Pseudopotential Method for Computational Materials Science
MASSIMILIANO STENGEL (University of California @ Santa Barbara, USA)
First-principles calculations of capacitors at finite bias potential
MOUMITA SAHARAY (JNCASR, Bangalore, India)
Car-Parrinello Molecular Dynamics Simulation Studies on Supercritical Carbon Dioxide
NICOLAS LORENTE (Universite Paul Sabatier, Toulouse, France)
Vibronic effects in electron transport through atomic and molecular systems
PABLO GARCIA-GONZALEZ (UNED, Madrid, Spain)
Many-body and time-dpendent DFT methods to evaluate electron total energies
PAOLO UMARI (SISSA & DEMOCRITOS National Simulation Center)
Fast GW calculations using ultra-localized Wannier functions
PATRICK RINKE (Fritz-Haber-Institut, Berlin, Germany)
Exact-exchange based quasiparticle energy calculations applied to (transition) metal nitrides: ScN and InN
RICHARD NEEDS (Cambridge University, UK)
Equation of state and Raman frequency of diamond from quantum Monte Carlo
STEFAN BLUEGEL (KFA, Julich, Germany)
Spin-dependent all-electron tunneling through junctions
STEFANO BARONI (SISSA & DEMOCRITOS National Simulation Center)
Turbocharging TDDFT using Lanczos chains
STEFANO DE GIRONCOLI (SISSA & DEMOCRITOS National Simulation Center)
van der Waals coefficients in DFT: a simple approximation for the polarizability
THOMAS KUEHNE (ETH Zurich, Lugano, Switzerland)
An efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics
TIMO THONHAUSER (Rutgers University, Piscataway and MIT, Cambridge, USA)
Orbital magnetization in periodic solids and its connection to NMR
UMESH WAGHMARE (JNCASR, Bangalore, India)
Geometric phases, distribution of electron charge centers, Wannier functions and bonding in materials
XIN-GAO GONG (Fudan University, Shanghai, China)
Pressure Induced the Phase Transition in Nano-cluster and Nano-tubes

Organizers

Directors: N. Marzari, P.J. Ordejon, S. Scandolo