The goal of the school is to introduce PhD students, postdocs, and junior scientists to the use of advanced functionals, such as extended Hubbard and Koopmans, aimed at modelling complex materials and properties.The school will cover a variety of topics, including:
- Density functional theory, density functional perturbation theory and some of their applications
- Hubbard and Koopmans functionals, theoretical framework and applications
- AiiDA as a computational infrastructure for high-throughput and automated simulations
The 4.5 days program will be articulated in theoretical lectures (mornings), hands-on tutorials using the Quantum ESPRESSO and AiiDA software platforms (afternoons), and keynote lectures.
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