The meeting will start on tuesday, May 9, 2017 at 2pm and ends on friday, May 12, 2017 after lunch. Arrival is possible on monday, May 8.
Below is a list of topics to be covered in each session. Schedules will be communicated later
This program is likely to (slightly) change...
A 20' slot consists of a 16' presentation and 4' of questions.
A 10' slot consists of a 8' presentation and 2' of questions.
Tuesday, 9 May
Status of ABINIT project - X. Gonze - SLIDES
Abinit ecosystem, Big data
- The Delta project: current status and future directions - K. Lejaeghere (20') - SLIDES
- The MULTIBINIT software project - P. Ghosez (20') - SLIDES
- MULTIBINIT: how to scale up simulations from 2nd principles models - A. Martin (20') - SLIDES
- Python ecosystem for scientific computing with ABINIT: challenges and opportunities - M. Giantomassi, G.-M. Rignanese (30') - SLIDES
- News from the PAW dataset table - F. Jollet (10') - SLIDES
- The PseudoDojo: training and grading a 85 element optimized NCPP table - M. van Setten (20') - SLIDES
- High-throughput DFPT - G. Petretto (20') - SLIDES
Discussion/round table: ABINIT survey
Wednesday, 10 May
Electrons: advanced theories
- LOBSTER and ABINIT: perfect partners for chemical bonding studies - R. Dronskowski (20') - SLIDES
- Develoment of DFT+DMFT + cRPA in ABINIT - B. Amadon (20') - SLIDES
- Hybrid functionals in ABINIT: state of the art and perspectives - F. Jollet (20') - SLIDES
- Metaheuristic searchers Applied to Strongly Correlated Materials - A. Romero (20')
- Ab initio calculation of U within cRPA for early Lanthanides - J.-B. Morée (10') - SLIDES
- High-Throughput GW: automation methodologies and large scale validation - M. van Setten (20') - SLIDES
- Band gaps of extended systems through efficient vertex corrections in GW - W. Chen (20') - SLIDES
Discussion/round table: ABINIT ecosystem
- Supercritical silicate melts - R. Caracas (10') - SLIDES
- Temperature dependent phonons, but faster! - O. Hellman (20') - SLIDES
- Anharmonic effects in solids: an implementation in ABINIT - F. Bottin, J. Bouchet (20') - SLIDES
- Nuclear quantum effects in ab initio MD simulations - H. Dammak (20') - SLIDES
- Implementation of the Blue-Moon Ensemble in ABINIT - G. Geneste (20') - SLIDES
- AGATE - Abinit Graphical Analysis Technical Engine - J. Bieder (10')
"Exploration" in Fréjus
Conference dinner (restaurant "Ray'Son" in Fréjus)
Thursday, 11 May
- Adapting ABINIT to new computing architectures - M. Torrent (20') - SLIDES
- ABINIT on manycore-based supercomputers - J. Bieder (20') - SLIDES
- Verificarlo applied to ABINIT: detecting numerical instability - Y. Chatelain (20') - SLIDES
- The ABINIT test farm and its evolution - J.-M. Beuken (20') - SLIDES
Discussion/round table: development tools: gitlab, testfarm, ...
Discussion/round table: ABINIT forum
- Phonons and elastic constants including van der Waals - B. van Troeye (20') - SLIDES
- Counterintuitive dyn. charge, vdW Interaction in Transition Metal Dichalcogenides - N. Pike (10') - SLIDES
- van der Waals DF - c. Espejo (10') - SLIDES
- Phonon unfolding: real and reciprocal space methods - X. He (20') - SLIDES
- Non-collinear magnetism in Abinit for DFPT - F. Ricci (20') - SLIDES
- DFPT with magnetic field and noncollinear XC functionals - S. Prokhorenko (20') - SLIDES
- The ElectronPhononCoupling module - G Antonius (20') - SLIDES
- New Abinit driver for the calculation of electron-phonon interactions - M. Giantomassi (20') - SLIDES
- Ab-initio computation of Raman spectra within DFPT+PAW - L. Baguet (20') - SLIDES
- 1st-principle HT approach for linear and non-linear optical properties - F. Naccarato (10') - SLIDES
- Resonant Raman in ABINIT - X. Gonze (10') - SLIDES
- Precise effective masses from DFPT - X. Gonze (10') - SLIDES
Friday, 12 May
Several small meetings: improving ABINIT
- How to improve user experience with the code?
- How to improve electronic experience (website, forum, wiki...)?
- How to improve development efficiency?
Discussion/round table in working groups
Sharing of working groups