Hands-on Tutorial on Electronic Structure Computations

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Contribution List

Displaying 24 contributions out of 24

Ab-initio MD

Session: Ab-initio MD

Ab-initio MD

Session: Ab-initio MD

BSE

Session: BSE

Calculation of forces in DMC

Session: Calculation of forces in DMC

Calculation of forces in VMC

Session: Calculation of forces in VMC

Closing remarks

Session: Closing remarks

Diffusion Monte Carlo

Session: Diffusion Monte Carlo

Session: GW

GW + BSE

Session: GW + BSE

GW + BSE

Session: GW + BSE

GW + BSE

Session: GW + BSE

GW with Wannier functions and Lanczos chains

Session: GW with Wannier functions and Lanczos chains

Installation and ground state computations (QE)

Session: Installation and ground state computations (QE)

- 2522_4.pdf

Installation and ground state computations (QE)

Session: Installation and ground state computations (QE)

- 2522_3.pdf

QMC basics

Session: QMC basics

- QMC_TUTORIALS.tgz

Reaction pathways

Session: Reaction pathways

Structural optimization

Session: Structural optimization

Time-dependent DFT

Session: Time-dependent DFT

- 2522_2.pdf

Time-dependent DFT

Session: Time-dependent DFT

Transport with Wannier functions

Session: Transport with Wannier functions

Transport with Wannier functions

Session: Transport with Wannier functions

Variational Monte Carlo

Session: Variational Monte Carlo

Wavefunction optimization

Session: Wavefunction optimization

Welcome and general remarks on QE

Session: Welcome and general remarks on QE

Organizers

Organizer: S. Moroni (SISSA & DEMOCRITOS),
ICTP Local Organizer: N. Binggeli