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Author List

Displaying 29 authors out of 29
ALESSANDRO LAIO (CSCS Science Division, Zürich, Switzerland)
An Efficient Method to Reconstruct Multidimensional Free Energy Surfaces by Molecular Dynamics
ALFREDO PASQUARELLO (EPFL, Lausanne, Switzerland)
Ab-initio Molecular Dynamics in a finite Homogeneous Electric Field
ANDREW WILLIAMSON (Lawrence Livermore National Laboratory, Livermore, U.S.A.)
Linear-Scaling QMC
ANTON KOKALJ (Jozef Stefan Institute, Ljubljana, Slovenia)
The Interaction of Ethylene with Prefect, Defective and Oxygen Covered Silver Surfaces
BJÖRN WINKLER (Johann Wolfgang Goethe-Universität, Frankfurt, Germany)
Recent Progress in Computational Crystallography
BJØRK HAMMER (Institute of Physics & Astronomy, University of Aarhus, Denmark)
The Reactivity of Metal Films and Metal clusters on Oxide Supports
DAVID CEPERLEY (University of Illinois and NCSA, Urbana, U.S.A.)
Coupled Electron-Ion Monte Carlo
FRANCESCO MAURI (Universite Pierre et Marie Curie, Paris, France)
Ab-initio Calculation of Vibrational Raman Spectra in Large Systems
GIULIA GALLI (Lawrence Livermore National Laboratory, Livermore, U.S.A.)
Ab-initio Simulations of Molecular Fluids: Structural and Electronic Properties and the Influence of a Magnetic Field
HANNES JONSSON (University of Washington, Seattle, U.S.A.)
Multiple Time Scale Simulations of Solids
JORGE INIGUEZ (Rutgers University, Piscataway, U.S.A.)
First-Principles Approach to Insulators in Finite Electric Fields
JUERG HUTTER (Physikalisch-Chem Institute, Zürich, Switzerland)
Force Calculations within the Tamm-Dancoff Approximation to TDDFT
KARSTEN REUTER (FOM Instituut voor Atoom - en Molecuulfysica, Amsterdam, The Netherlands)
First Principles, Atomistic Thermodynamics for Oxidation Catalysis
KAZUO KITAURA (Research Institute for Computational Sciences, Tsukuba, Japan)
Ab-initio Fragment Orbital Method and its Application to Large Bio-Molecules
KURT STOKBRO (MIC - Mikroelektronik Centret, Lyngby, Denmark)
Ab-Initio Electron Transport Calculations with TranSIESTA
LUCIA REINING (Laboratoire des Solides Irradies, Ecole Polytechnique, Palaiseau, France)
Electron-Hole Excitations in the Quasiparticle Picture and in the Density-Functional Framework
MARK VAN SCHILFGAARDE (Arizona State University, Tempe, U.S.A.)
A Full-Potential All-Electron Implementation of the GW Method
MASSIMILIANO DI VENTRA (Virginia Technical, Blacksburg, VA, U.S.A.)
Electronic Transport in Nanoscale Conductors from First Principles
MIKE KLEIN (University of Pennsylvania, Philadelphia, U.S.A.)
Special Talk on: Biomolecules at Soft Interfaces
OLE KROG ANDERSON (Max-Planck-Institut für Festkoerperforschung, Stuttgart, Germany)
What is special about MgB2 Minerals
PAOLO CARLONI (SISSA and DEMOCRITOS, Trieste, Italy)
Breaking the Peptide Bond in Enzymes and in Aqueous Solution
RALPH GEBAUER (Princeton University, U.S.A. and ICTP)
A New Open Quantum System Approach for the Calculation of Non-Equilibrium Transport Properties
RENATA WENTZCOVITCH (University of Minnesota, U.S.A.)
Thermoelasticity of Mantle Minerals from First Principles
SHIWEI ZHANG (College of William and Mary, Williamsburg, U.S.A.)
Continuum Quantum Monte Carlo Method Using Random Walks with Slater Determinants
SOHRAB ISMAIL-BEIGI (University of California, Berkeley, U.S.A.)
Calculation of Ab Initio Forces for Optically Excited States
STEFANO DE GIRONCOLI (SISSA and DEMOCRITOS, Trieste, Italy)
LDA+U Calculation of Iron-containing Minerals
STEPHEN FAHY (University College, Cork, Ireland)
Energy Minimization for VMC Wave Function
TCHAVDAR TODOROV (Queen's University Belfast, U.K.)
Electron-Phonon Interaction in Atomic Wires
VOLKER HEINE (Cavendish Laboratory (TCM), Cambridge, U.K.)
Closing Remarks

Organizers

R. Martin, M. Finnis, S. Baroni