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Day 7- Tuesday, January 24

Place

Location: ICTP
Room: Kastler Lecture Hall (AGH)
Date: 24 Jan 09:00 - 23:00

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23:00
Solvent and Environment Effects: Continuum Models
Adriatico Guest House - Kastler Lecture Hall, ICTP
Coffee Break
Adriatico Guest House - Cafeteria, ICTP
Hands-on: Environment Effects (Solvation, Electrochemistry, PBC) via Continuum Models
Adriatico Guest House - INFOLab (Lower Level 1), ICTP
Lunch Break
Adriatico Guest House - Cafeteria, ICTP
Introduction to AiiDA, the ADES model and the concept of provenance
Adriatico Guest House - Kastler Lecture Hall, ICTP
Hands-on: Introduction to AiiDA & browsing through the graph
Adriatico Guest House - INFOLab (Lower Level 1), ICTP
Coffee Break
Adriatico Guest House - Cafeteria
Hands-on: Running SCF Calculations in QE using AiiDA
Adriatico Guest House - INFOLab (Lower Level 1), ICTP
RECEPTION
Outside Restaurant

Organizers

Stefano Baroni (SISSA), Matteo Cococcioni (EPFL), Stefano de Gironcoli (SISSA), Andrea Ferretti (CNR-NANO), Paolo Giannozzi (University of Udine), Nicola Marzari (EPFL), Local Organisers: Ralph Gebauer, Ivan Girotto

Co-sponsors