One of the featured tasks of MaX is to offer to students and researchers a certain amount of online courses and video lectures 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 the 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