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The Yambo Team is pleased to announce the third Hands-on entirely dedicated to Yambo

Excitations in Realistic Materials using Yambo on Massively Parallel Architectures

13th - 17th April 2015
CECAM-HQ-EPFL, Lausanne, Switzerland

Preliminary program

Day 1
Basic Concepts
[08:45-09:00] Welcome
[09:00-10:00] Presentation: Realistic Simulations of complex materials. (Nicola Marzari)
[10:00-10:30] Coffee Break
[10:30-11:30] Presentation: Electronic structure calculations: DFT and beyond. (Myrta Gruening)
[11:30-12:30] Presentation: The linear response theory and TDDFT. (Davide Sangalli)

[12:30-13:30] Lunch

HANDS-ON (I)
[14:00-15:30] Introduction to Yambo step-by-step. Installation and interfacing with DFT codes. (Conor Hogan)
[15:30-16:00] Coffee Break
Poster session
[16:00-18:00] Questions & Answers. Presentation of students' projects
[19:00-21:00] Get together


Day 2
One Particle Excitations
[09:00-10:00] Presentation: Experimental state-of-the-art of ARPES. (Marco Grioni)
[10:00-10:30] Coffee Break
[10:30-11:30] Presentation: GW and Angle-resolved photoelectron spectroscopy (ARPES). (Andrea Ferretti)
[11:30-12:30] Presentation: GW common approximations and practical implementations. (Daniele Varsano)

[12:30-13:30] Lunch

HANDS-ON (II+III)
[14:00-15:30] GW with the plasmon-pole approximation: quasiparticle energies. (Andrea Ferretti)
[15:30-16:00] Coffee Break
[16:00-18:00] GW with real-axis integration: quasiparticle energies and lifetimes (Daniele Varsano)


Day 3
Large scale computing with Yambo
[09:00-10:00] Presentation: Introduction to the Many-Body problem (I): the diagrammatic approach. (Pedro Melo)
[10:00-10:30] Coffee Break
[10:30-11:30] Presentation: Trends in parallel computing. (Carlo Cavazzoni)
[11:30-12:30] Presentation: Parallel structure of Yambo. (Andrea Marini)

[12:30-13:30] Lunch

HANDS-ON (III)
[14:00-15:30] Using the Yambo code: PARALLELISM. (Andrea Marini & Andrea Ferretti)
[15:30-16:00] Coffee Break
[16:00-18:00] Using the Yambo code: PARALLELISM. (Andrea Marini & Andrea Ferretti)
Social dinner
[19:30-22:30]


Day 4
Two-particle excitations
[09:00-10:00] Presentation: Introduction to the Many-Body problem (II): the diagrammatic approach. (Andrea Marini)
[10:00-10:30] Coffee Break
[10:30-11:30] Presentation: Introduction to the BSE, (Margherita Marisili)
[11:30-12:30] Presentation: BSE and TDDFT calculations: general implementation and common approximations. Spin orbit coupling. (Maurizia Palummo)

[12:30-13:30] Lunch

HANDS-ON (IV-V)
[14:00-15:30] Using the Yambo code: optical properties, from TDDFT to BSE. Spin orbit coupling. (Conor Hogan)
[15:30-16:00] Coffee Break
[16:00-18:00] Using the Yambo code: optical properties, from TDDFT to BSE. Spin orbit coupling. (Conor Hogan)


Day 5
Hacking Yambo
[09:00-10:00] Coding in the Yambo code. (Davide Sangalli)
[10:00-10:30] Coffee Break
[10:30-12:00] Coding in the Yambo code. (Davide Sangalli)
[12:00-12:30] General Discussion and Conclusion

Lecturers

Andrea Ferretti (andrea.ferretti@nano.cnr.it)
CNR Institute of Nanoscience, Modena

Conor Hogan (conor.hogan@roma2.infn.it)
CNR Istituto di Struttura della Materia (ISM), Rome

Andrea Marini (andrea.marini@cnr.it)
CNR Istituto di Struttura della Materia (ISM), Rome

Davide Sangalli (davide.sangalli@ism.cnr.it)
CNR Istituto di Struttura della Materia (ISM), Rome

Maurizia Palummo (palummo@roma2.infn.it)
Physics Department, University of Rome Tor Vergata, Rome

Daniele Varsano (daniele.varsano@nano.cnr.it)
CNR Institute of Nanoscience, Modena

Margherita Marsili
CNR Institute of Nanoscience, Modena

Pedro Melo
University of Coimbra, Coimbra, Portugal

Nicola Marzari
EPFL, Lausanne, Switzerland

Marco Gironi
EPFL, Lausanne, Switzerland

Carlo Cavazzoni
CINECA, Bologna, Italy