Dates
Monday January 9th, 2017 (full day) and Tuesday January 10th, 2017 (half day)
Location
Kastler Lecture Hall, Adriatico Guest House, ICTP (Italy)
Agenda
Monday January 9th
09:00 - 09:30 Opening talk
Paolo Giannozzi (U.Udine)
09:30 - 09:50 New XML I/O in QE
Pietro Delugas (SISSA)
09:50 - 10:10 New FFT data distribution to improve scalability,
Stefano de Gironcoli (SISSA)
10:10 - 10:30 Diagonalization algorithms with reduced subspace diagonalization
Anoop Chandran (ICTP / MHPC student)
10:30 - 11:00 Break
11:00 - 11:20 Status report on AiiDA, and the Materials Cloud portal for QE
data
Nicola Marzari (EPFL)
11:20 - 11:50 Quantum Espresso enabling on Marconi
Fabio Affinito (CINECA)
11:50 - 12:20 Optimizing EXX calculations in QE for Intel Xeon Phi
Thorsten Kurth/Taylor Barnes (NERSC)
12:20 - 13:00 Discussions
13:00 - 14:00 Lunch
14:00 - 14:20 Progress in EPW and discuss test-farm & automatic documentation
Samuel Ponce (U.Oxford)
14:20 - 14:40 Using QE as a library: Lessons learned by developing the
Sternheimer GW code
Martin Schlipf (U.Oxford)
14:40 - 15:00 thermo_pw: a Fortran driver for the quantum ESPRESSO routines
Andrea Dal Corso (SISSA)
15:00 - 15:20 WEST: large-scale excited states calculations
Marco Govoni (U.Chicago)
15:30 - 17:30 Discussions
Tuesday January 10th
09:30 - 09:50 DFT and DFPT for two-dimensional systems: implementation of 2D
Coulomb cutoff in PW and PH
Thibault Sohier (EPFL)
09:50 - 10:10 Hubbard interactions from density functional perturbation theory
Iurii Timrov (EPFL)
10:10 - 10:30 New development in exact exchange calculations
Ivan Carnimeo (SISSA)
10:30 - 11:00 Break
11:00 - 11:20 Magnetic excitations
Tommaso Gorni (SISSA)
11:30 - 13:00 Discussions
13:00 - 14:00 Lunch
Recordings
All talks will be first broadcasted via YouTube streaming (see links below) and
then all recordings uploaded in a separate YouTube channel. Discussions will
not be recorded.
Monday morning from 09:00 to 10:20 = https://youtu.be/xE4hOlt-LXY
Monday morning from 11:00 to 12:20 = https://youtu.be/lpR91QQApMU
Monday afternoon from 14:00 to 15:20 = https://youtu.be/6ghwf3bxtA4
Tuesday morning from 09:30 to 10:30 = https://youtu.be/d-rNgX7uhW4
Tuesday morning from 11:00 to 11:20 = https://youtu.be/Q8nHysyUIoY
Social media
Follow Quantum ESPRESSO on Facebook [1] and Twitter [2] and LinkedIn [3]
A big thank you to Ivan Girotto (ICTP) and all ICTP staff for hosting the
event, the technical support (especially for the streaming) and the logistics.
[1] https://www.facebook.com/QuantumESPRESSO/
[2] https://twitter.com/QuantumESPRESSO
[3] https://www.linkedin.com/groups/4650183
--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org
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