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Displaying 27 speakers out of 27
A. GOERLING
Advances in density-functional theory by orbital and state dependent functionals
A. RUBIO
Electron/hole lifetimes in simple and noble metals
A.M. RAPPE
Geometric Formulation of Quantum Stress Fields in Density Functional Theory
C. FILIPPI
The puzzle of H2 on Si(100): a quantum Monte Carlo study
C.J. PICKARD
All-electron magnetic response with pseudopotentials: NMR chemical shifts
D. ALFÈ
Composition and temperature of the Earth's core constrained by combining ab initio calculations and seismic data
D. KING-SMITH
An efficient internal coordinate method for optimization of periodic structures
D. MARX
Ab Initio Path Integrals: Methods and Applications
D. PASSARONE
Action-derived molecular dynamics in the study of rare events
E. ARTACHO
Electrons in DNA from first-principles
E. TOSATTI
Playing guitar with metal nanowires
E.K.H. SALJE
Microstructures in Ferroelastic Systems inc. Surface Relaxations
E.K.U. GROSS
DFT beyond the Born-Oppenheimer approximation
F. ARYASETIAWAN
Green's function approach for calculating total energies in molecules and solids
G. KOTLIAR
Dynamical Mean Field Theory in Electronic Structure Calculations: Applications to solids with f and d electrons
I. SOUZA
Polarization and localization in insulators: Generating function approach
JISOON IHM
Quantum Transport Calculation in Carbon Nanotubes
M. COTE'
BN polymers: new building blocks for organic electronic devices
M.J. GILLAN
Practical techniques for order-N DFT calculations on thousands of atoms
P. KRATZER
Modeling Molecular Beam Epitaxy using Total-energy DFT calculations in combination with kinetic Monte Carlo simulations
R. A. WOLKOW
A Step Toward Making and Wiring-up Molecular-Scale Devices with a Self-Directed Growth Process
R. GODBY
Ab initio total energies from many-body perturbation theory
R.M. MARTIN
Concluding remarks
S. MORONI
Derivatives of the fixed--node energy
S. SCANDOLO
First-principle molecular-dynamics simulation of minerals at deep Earth's temperatures and pressures
U. ROETHLISBERGER
Mixed QM/MM Car-Parrinello Simulations of Biological Systems
X. GONZE
FT for excited states: time-dependent DFT, exact exchange, RPA correlation