open online courses and videolectures

One of the featured tasks of MaX is to offer to students and researchers a certain amount of online courses and videolectures in order to favour training at distance.

Links to some lectures are given in the following.


1.  (For kind courtesy of) Prof. De Gironcoli (SISSA) course on Electronic Structure: from blackboard to source code. 


2. Lectures from the High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO and AiiDA – ICTP Trieste, January 16-23 2017 (website).

The course was organized by ICTP with the strong support of MaX and other institutions.

Stefano Baroni, SISSA
DFT fundamentals: from theory to practice
Hohenberg-Kohn-Sham theory; variational principle; Hellman-Feynman theorem and energy derivatives
Ralph Gebauer, ICTP
Implementation of DFT in QE
PPs, PWs, FFT, k-points
Matteo Cococcioni, EPFL 
Notable failure of approximate DFT and possible remedies. Koopmans, DFT+U
Sandro Scandolo, ICTP
Basics of ab-initio Molecular Dynamics
Dynamics on the Born-Oppenheimer surface, energy conservation, ensembles, thermostats and barostats
Sandro Scandolo, ICTP 
Car-Parrinello Molecular Dynamics
Adiabaticity, metals, thermostats and barostats, correlation times and averages
Andrea Dal Corso, SISSA & CNR-IOM 
Linear Response, density-functional perturbation theory 
Andrea Dal Corso, SISSA & CNR-IOM  
Phonon calculations and thermodynamics
Davide Ceresoli, CNR ISTM 
Vibrational & Magnetic Spectroscopies in QE
NMR and EPR
Lorenzo Paulatto, IPCMC CNRS 
Vibrational & Magnetic Spectroscopies in QE
IR and RAMAN
Ralph Gebauer, ICTP  
Spectroscopies: Time-Dependent DFPT
Andrea Ferretti, CNR NANO 
Spectroscopies: Many-Body Perturbation Theory
Andrea Marini, CNR ISM 
Many-Body Perturbation Theory Using the Yambo code
Michele Ceriotti, EPFL 
Advanced Molecular Dynamics 
Thermostats, Barostats and Nuclear Quantum Effects
Oliviero Andreussi, EPFL 
Solvent and Environment Effects: Continuum Models
Giovanni Pizzi, EPFL 
Introduction to AiiDA, the ADES model and the concept of provenance
Stefano De Gironcoli, Paolo Giannozzi, SISSA & UNIUD 
Levels & Hierrachy of Parallelism in QE
Carlo Cavazzoni, CINECA 
Evolution of Present and Future HPC Architectures
Carlo Cavazzoni, CINECA 
Evolution of Paralell Programming Paradigms for Exascale Computing Platforms