Abinit Workshop 2013 - Presentations and pictures
Abinit Workshop 2013 - Presentations and pictures
Presentations
Session 1:
Xavier Gonze : Overview of the ABINIT project
Yann Pouillon : Paving the way towards ABINIT 8 in the post-Moore's law era
Session 2:
Marc Torrent : ABINIT on High Performance Computers
Matteo Giantomassi : Recent developments in parallelism for ABINIT
Marc Torrent : Using ABINIT on Graphics Processing Units (GPU)
Session 3:
Lianhua He : Accuracy of Generalized Gradient Approximation functionals for density functional perturbation theory calculations
Micael Oliveira : Libxc and Libpspio: towards better code sharing and reuse in DFT codes
Camilo Espejo : Implementation of vdW-DF functional in ABINIT
Josef Zwanziger : Orbital magnetic susceptibility
Session 4:
Natalie Holzwarth : Comments on generating and testing PAW datasets
Francois Jollet : Interfacing ABINIT with PAW atomic data tables: Toward an XML reference format?
Luigi Genovese : Wavelets opportunities for DFT and Post-DFT calculations
Tonatiuh Rangel : Wavelets within the Projector Augmented-Wave (PAW) method in ABINIT
Damien Caliste : High level functionalities through bindings (or not), the BigDFT example
Session 5:
Brice Arnaud : Time-resolved X-ray diffraction in laser-excited bismuth from first-principles
Yannick Gillet : Bethe-Salpeter methodology and resonant Raman spectroscopy
John Rehr : AI2PS: An analysis tool for vibrational properties based on ABINIT
Session 6:
Samuel Ponce : Validation of calculations based on electron-phonon matrix elements in ABINIT and PWSCF/Yambo
Matthieu Verstraete : Odd and ends. Novelties in phonon interpolation and treatment with ABINIT and anaddb
Bin Xu : Calculation of thermoelectric properties using ABINIT
Session 7:
Matteo Giantomassi : New test procedures
Jean-Michel Beuken : ABINIT Test Farm
Yannick Gillet : Status of the ABINIT GUI
Session 8:
Gregory Geneste : Path-Integral Molecular Dynamics under fixed volume or fixed pressure and its parallelization
Alexandre Martin : ABINIT Post Process Application (APPA): Graphical tool for Molecular Dynamics simulation analysis
Ask Hjorth Larsen : The Atomistic Simulation Environment
Gabriel Antonius : Abipy Tutorial: Managing ABINIT calculations in Python
Gian-Marco Rignanese : Towards high-throughput ab initio calculations using ABINIT
Session 9:
Aldo Romero : News from the genetic world: GA implementation in ABINIT
Jose Flores Lives : Designing new materials from first principles: Computational and experimental results
Maximilian Amsler : Novel structural motifs in alanates
Session 10:
Bernard Amadon : DFT+DMFT and calculation of U in cRPA
Jordan Bieder : CTQMC solver for DMFT
Jonathan Laflamme Janssen : Faster G0W0 implementation for more accurate material design
Bruno Rousseau : Efficient computation of GW energy level corrections for molecules described in a plane wave basis
Session 11:
Fabien Bruneval : Hybrid functionals in ABINIT a la GW
Cyril Martin : Hartree-Fock and hybrid functionals in ABINIT: Implementation and first applications
David Waroquiers : Band widths and gaps from the Tran-Blaha functional: Comparison with Many-Body Perturbation Theory
Pictures