ICTP2020: Difference between revisions
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=== Monday 27 Jan HANDS-ON 1 === | === Monday 27 Jan HANDS-ON 1 === | ||
14:40 - 17:00 From the DFT ground state to the complete setup of a Many Body calculation using Yambo | '''14:40 - 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 Liege, Belgium) | ||
=== Tuesday 28 Jan HANDS-ON 2 === | === Tuesday 28 Jan HANDS-ON 2 === | ||
14:00 - 16:00 A complete tour through GW simulation in a complex material (from the blackboard to numerical computation: convergence, algorithms, parallel usage) | '''14:00 - 16:00 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) | ||
'''16:30 - 18:00 A complete tour through GW simulation in a complex material (from the blackboard to the computer settings: convergence, algorithms, parallel usage) (continued)''' Daniele Varsano (CNR-NANO, Italy), Andrea Ferretti (CNR-NANO, Italy) | |||
16:30 - 18:00 A complete tour through GW simulation in a complex material (from the blackboard to the computer settings: convergence, algorithms, parallel usage) (continued) | |||
=== Wednesday 29 Jan HANDS-ON 3 === | === Wednesday 29 Jan HANDS-ON 3 === | ||
Revision as of 16:45, 8 January 2020
Plan for the ICTP 2020 school tutorials
Monday 27 Jan HANDS-ON 1
14:40 - 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 Liege, Belgium)
Tuesday 28 Jan HANDS-ON 2
14:00 - 16:00 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)
16:30 - 18:00 A complete tour through GW simulation in a complex material (from the blackboard to the computer settings: convergence, algorithms, parallel usage) (continued) Daniele Varsano (CNR-NANO, Italy), Andrea Ferretti (CNR-NANO, Italy)
Wednesday 29 Jan HANDS-ON 3
14:00 - 16:00 A guided tour through calculations of spectroscopic properties using the BSE approach Daniele Varsano (CNR-NANO, Italy), Maurizia Palummo (University of Rome Tor Vergata, Italy)
16:30 - 18:00 Many-body effects in 2D materials: convergences, spin orbit effect, exciton characterizations Maurizia Palummo (University of Rome Tor Vergata, Italy), Attaccalite Claudio (CNRS, CINAM, Aix-Marseille Univ., France)
Thursday 30 Jan HANDS-ON 4
14:00 - 15:00 Real time approach and Calculation of linear response functions and optical properties Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)
15:30 - 18:00 Real time approach and Calculation of non linear properties (second harmonic generation) Claudio Attaccalite (CNRS, CINAM, Aix-Marseille Univ., France), Davide Sangalli (CNR-ISM, Italy)
Friday 31 Jan HANDS-ON 5
09:00 - 10:30 Python scripting tools for accelerated GW convergence Fulvio Paleari (CNR-ISM, Italy), Alejandro Molina-Sanchez (IINL, Portugal)
10:30 - 11:30 Python scripting tools for BSE convergence and analysis Fulvio Paleari (CNR-ISM, Italy), Alejandro Molina-Sanchez (IINL, Portugal)