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 |
