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Contribution List

Displaying 30 contributions out of 30
Session: A Full-Potential All-Electron Implementation of the GW Method
Session: A New Open Quantum System Approach for the Calculation of Non-Equilibrium Transport Properties
Session: Ab-Initio Electron Transport Calculations with TranSIESTA
Session: Ab-initio Calculation of Vibrational Raman Spectra in Large Systems
Session: Ab-initio Fragment Orbital Method and its Application to Large Bio-Molecules
Session: Ab-initio Molecular Dynamics in a finite Homogeneous Electric Field
Session: Ab-initio Simulations of Molecular Fluids: Structural and Electronic Properties and the Influence of a Magnetic Field
Session: An Efficient Method to Reconstruct Multidimensional Free Energy Surfaces by Molecular Dynamics
Session: Breaking the Peptide Bond in Enzymes and in Aqueous Solution
Session: Calculation of Ab Initio Forces for Optically Excited States
Session: Closing Remarks
Session: Continuum Quantum Monte Carlo Method Using Random Walks with Slater Determinants
Session: Coupled Electron-Ion Monte Carlo
Session: Electron-Hole Excitations in the Quasiparticle Picture and in the Density-Functional Framework
Session: Electron-Phonon Interaction in Atomic Wires
Session: Electronic Transport in Nanoscale Conductors from First Principles
Session: Energy Minimization for VMC Wave Function
Session: First Principles, Atomistic Thermodynamics for Oxidation Catalysis
Session: First-Principles Approach to Insulators in Finite Electric Fields
Session: Force Calculations within the Tamm-Dancoff Approximation to TDDFT
Session: LDA+U Calculation of Iron-containing Minerals
Session: Linear-Scaling QMC
Session: Multiple Time Scale Simulations of Solids
Session: Opening
Session: Recent Progress in Computational Crystallography
Session: Special Talk on: Biomolecules at Soft Interfaces
Session: The Interaction of Ethylene with Prefect, Defective and Oxygen Covered Silver Surfaces
Session: The Reactivity of Metal Films and Metal clusters on Oxide Supports
Session: Thermoelasticity of Mantle Minerals from First Principles
Session: What is special about MgB2 Minerals

Organizers

R. Martin, M. Finnis, S. Baroni