Scientific Calendar Event
GO TO SCIENTIFIC CALENDAR



  • Europe/Rome
  • English
  • Administration

Search

Search in Conferences:

Support

Home > Author Index

Author List

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