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Displaying 32 authors out of 32
ALEXANDRE TKATCHENKO (Fritz Haber Institut, Berlin, Germany)
Towards accurate modeling of van der Waals interactions in complex materials
CLAUDIA AMBROSCH-DRAXL (University of Leoben, Leoben, Austria)
Many-body effects in photo-emission spectra: The role of electron-phonon coupling
DARIO ROCCA (University of California, Davis, USA)
Berthe-Salpeter equation without empty electronic states applied to charge-transfer excitations
DAVID VANDERBILT (Rutgers State University of New Jersey, Piscataway, USA)
Orbital magnetoelectric effects and topological insulators
DUAN WENHUI (Tsinghua University, Beijing, P.R. China)
Transport in graphene nanostructures
EBERHARD K.U. GROSS (Max Planck Institute of Microstructure Physics, Halle, Germany)
Exact factorization of the time-dependent electron-nuclear wavefunction
EMMANOUIL KIOUPAKIS (University of California, Santa Barbara, USA)
Auger recombination and absorption loss processes in nitride light emitters from first principles
EVERT J. BAERENDS (VU University, Amsterdam, Netherlands)
A perspective on density matrix functional theory for ground state and excited state energy surfaces
FELICIANO GIUSTINO (University of Oxford, Oxford, UK)
GW calculations for solar energy materials using the self-consistent Sternheimer equation
GEORG KRESSE (Centre for Computational Materials Physics, Vienna, Austria)
Total energies from diagrammatic techniques: RPA, MP2 and coupled cluster
GIORGIO ROSSI (Laboratorio Nazionale T.A.S.C.- CNR IOM, Trieste, Italy)
NFFA Distributed Research Infrastructure for Nanoscience: Experimental and Theory Laboratories
GIOVANNI BUSSI (Istituto Nanoscienze CNR, Modena, Italy)
Stochastic thermostats in classical and ab initio molecular dynamics
JAN A. BERGER (Ecole Polytechnique, Palaiseau, France)
Ab initio calculations of electronic excitations: collapsing spectral sums
JOEL MOORE (University of California, Berkeley, USA)
Topological insulators: overview and interface/nanostructure effects
JOHN REHR (University of Washington, Seattle, USA)
Calculations of optical spectra from the UV-Vis to X-rays
KLAUS CAPELLE (Universidade Federal do ABC, Santo André, Brazil)
Filling gaps in our understanding of gaps
KLAUS KERN (Max-Planck Institut für Festkorperforschung, Stuttgart, Germany)
Keynote talk: Surfaces in and out of equilibrium
MA YANMING (State Key Laboratory of Superhard Materials, Changchun, P.R. China)
Crystal structure prediction via particle swarm optimization: principles and applications
MATTHIAS SCHEFFLER (Fritz Haber Institut der Max Planck Gesellschaft, Berlin, Germany)
Remarks and informal birthday session
NEEPA MAITRA (City University of New York, USA)
Charge transfer and other challenges in TDDFT
OLEG YAZYEV (University of California, Berkeley, USA)
Modeling dislocations and grain boundaries in graphene
Introduction and opening comments
PAOLO UMARI (CNR INFM Democritos, Trieste, Italy)
GW quasi-particle spectra from occupied states only: application to DNA
PETROS SOUVATZIS (Uppsala University, Uppsala, Sweden)
Self-consistent ab-initio lattice dynamics (SCAILD); theory and numerical examples
RALPH GEBAUER (ICTP, Trieste, Italy)
Computational study of optical and structural properties of an organic dye sensitized solar cell
ROBERT O. JONES (Forschungszentrum Jülich, IFF, Jülich, Germany)
Simulations of phase change materials: Order-disorder phase transitions in nanoseconds
SILVIA PICOZZI (Consiglio Nazionale delle Richerche, CNR-SPIN L'Aquila, Italy)
Multiferroics: Electronic degrees of freedom at play
STEFAN GOEDECKER (University of Basel, Basel, Switzerland)
Harnessing the power of new computer hardware for electronic structure calculations with the BigDFT code
STEFAN KURTH (1.University of the Basque Country 2.IKERBASQUE, Bilbao 3.ETSF, San Sebastian,Spain)
Dynamical Coulomb blockade and the derivative discontinuity: a not-so-steady state
TAKAHIRO YAMAMOTO (University of Tokyo, Tokyo, Japan)
Phonon transport of carbon nanotubes in ballistic, diffusive and localized regimes
THOMAS BLIGAARD (Technical University of Denmark, Lyngby, Denmark)
Towards catalysis informatics
WARREN PICKETT (University of California, Davis, USA)
Mott Transition in MnO and Valence Transition in Yb under Pressure: Critical Overview of an All-Electron LDA+DMFT Implementation

Organizers

Directors: Lucia Reining, Ivo Souza, Stefano Fabris; R. Gebauer (Local Organiser)