CECAM VIRTUAL 2021
Plan for the CECAM VIRTUAL 2021 school tutorials. https://www.cecam.org/workshop-details/1081
Setting up Yambo
In order to get the yambo code in your machine you have multiple options:
- Yambo Virtual Machine
- Yambo Container
- Install the Yambo source in your computer
Setting up the Yambo Virtual Machine
The tutorials can be run on a dedicated Virtual Machine (called Yambo Quantum Mobile and adapted from the Quantum Mobile VM). This is run by installing it as Virtual Machine with the VirtualBox program. To install the Yambo VM in your computer you need to:
- Download and install Virtualbox software
- Download the Yambo Virtual Machine image
- Install the Yambo Virtual Machine
- Start the Yambo Virtual Machine
- Update and install the Tutorials
To this end follow exactly the step listed here: Install the Yambo Quantum Mobile VM
Setting up the Yambo Container
- Install Yambo via Docker on your laptop / desktop
Install Yambo
If you have some experience with compiling codes, you can get the source and install it. If you never compiled a code, it is better to choose one of the above options as the technical assistance we can offer is limited.
Tutorials
Before starting, get the tutorial files.
Thursday 8 April
14:00 - 14:30 Hands-on setup
14:30 - 17:00 From the DFT ground state to the complete setup of a Many Body calculation using Yambo, Davide Sangalli (CNR-ISM, Italy), Pedro Melo (University of Utrecht, the Netherlands)
Friday 9 April
13:30 - 16:30 A complete tour through GW simulation in a complex material (from the blackboard to numerical computation: convergence, algorithms, parallel usage), Daniele Varsano (CNR-NANO, Italy), Andrea Ferretti (CNR-NANO, Italy)
Thursday 15 April
13:30 to 15: Calculating optical spectra including excitonic effects: a step-by-step guide
15 to 16:30: Analysis of excitonic spectra, BSE solvers and convergence Fulvio Paleari (CNR-ISM, Italy), Myrta Grüning (Queen's University Belfast, Northern Ireland)
Lectures
All the lectures will be available in the Yambo-code YouTube channel
Thursday 8 April
10:00 to 10:10 - Welcome & Introduction, Daniele Varsano (CNR-NANO, Italy)
10:10 to 10:30 - Material Science and Yambo, what we can calculate, Andrea Marini (CNR-ISM, Italy)
10:40 to 11:00 - Introduction to Many Body Perturbation Theory, Pedro Melo (University of Utrecht, the Netherlands)
11:25 to 11:45 - The linear response theory, Claudio Attaccalite (CNRS Marseille, France)
12:00 to 12:20 - From equations to simulations: the hard life of a Materials scientist, Myrta Grüning (Queen's University Belfast, Northern Ireland)
Friday 9 April
10:00 to 10:30 - ARPES, quasiparticles and lifetimes: A theory overview, Andrea Ferretti (CNR-NANO, Italy)
11:10 to 11:40 - GW implementation and common approximations, Daniele Varsano (CNR-NANO, Italy)
Thursday 15 April
10:00 to 10:20 - Optical properties & excitons, Maurizia Palummo (Uni Roma2 Tor Vergata, Italy)
10:30 to 10:50 - Derivation of the Bethe-Salpeter Equation and main physical concepts , Claudio Attaccalite (CNRS Marseille, France)
11:20 to 11:40 - BSE implementation and common approximations, Davide Sangalli (CNR-ISM, Italy)
Friday 16 April
14:00 to 14:30 - Electron-phonon coupling in Yambo A.Marini
14:40 to 15:10 - Yambo parallelism and HPC A. Ferretti
15:30 to 16:10 - Parallel session in thematic rooms
- Room A : Non-linear optics C. Attaccalite and M. Gruning
- Room B : Automatisation and post processing with python layers F. Paleari and M. Bonacci
16:10 to 16:15 - Concluding remarks
Lecturers
Claudio Attaccalite (CNRS Marseille, France)
Miki Bonacci (CNR-Nano, University of Modena, Italy)
Andrea Ferretti (CNR-Nano, Italy)
Myrta Grüning (Queen's University Belfast, Northern Ireland)
Andrea Marini (CNR-ISM, Italy)
Pedro Melo (University of Utrecht, the Netherlands)
Fulvio Paleari (CNR-ISM, Italy)
Maurizia Palummo (Uni Roma2 Tor Vergata, Italy)
Davide Sangalli (CNR-ISM, Italy)
Daniele Varsano (CNR-Nano, Italy)
Tutors
Ridwan Agbaoye (Federal University of Agriculture, Abeokuta, Nigeria)
Ignacio Alliati (Queen's University Belfast, UK)
Samaneh Ataei (Shahid Beheshti University, Iran)
Claudia Cardoso (CNR-Nano, Italy)
Alberto Guandalini (CNR-Nano, Italy)
Conor Hogan (CNR-ISM, Italy)
Antimo Marrazzo (EPFL, Switzerland)
Elena Molteni (CNR-ISM, Italy)
Daniel Murphy (Queen's University Belfast, UK)
Bo Peng (University of Cambridge, UK)
Michele Re Fiorentin (Politecnico di Torino, Italy)
Dario A. Leon Valido (CNR-Nano, University of Modena, Italy)
Matteo Zanfrognini (CNR-Nano, University of Modena, Italy)
Technical Support
Nicola Spallanzani (CNR-NANO, Italy)