Teaching

The group is strongly committed to knowledge dissemination and training in computational materials science. We actively contribute to international schools, workshops, and training events, where we share expertise on advanced theoretical methods, state-of-the-art algorithms, and first-principles electronic-structure simulations. Our members have co-organized Quantum ESPRESSO schools supported by initiatives such as Psi-k, CECAM, and NCCR MARVEL, and have delivered lectures and tutorials at numerous international events. Through these activities, the group promotes the development and application of modern computational methods and fosters the education of the next generation of researchers.

mini-ASESMA school 2026: Atomistic and quantum simulations of materials

In June 2026, Dr. Iurii Timrov co-organized the "mini-ASESMA school 2026: Atomistic and quantum simulations of materials" at the University of Ghana together with Prof. Garu Gebreyesus (University of Ghana) and Prof. Michele Pavanello (Rutgers University). The two-week school provided intensive training in electronic-structure methods, covering density functional theory (DFT), density functional perturbation theory (DFPT), time-dependent DFT (TDDFT), machine learning, magnetism, and modern electronic-structure software. Dr. Timrov delivered lectures on advanced exchange-correlation functionals, including DFT+U, hybrids, meta-GGA, and van der Waals functionals, while Ms. Valentina Sanella led hands-on tutorials on these topics and contributed to practical sessions on magnetism and phonons. The school aimed to strengthen expertise in computational materials science in Ghana through in-depth lectures, interactive tutorials, and close collaboration between students and international researchers.

Joint ICTP MARVEL College: Materials Simulations in the age of AI

In June 2026, Dr. Iurii Timrov contributed to the organization of and lectured at the "Joint ICTP–MARVEL College: Materials Simulations in the Age of AI", held at the Abdus Salam International Centre for Theoretical Physics (ICTP) in Trieste, Italy. The two-week international school brought together graduate students and early-career researchers for intensive training in state-of-the-art computational materials science, combining lectures with practical hands-on sessions using open-source electronic-structure and atomistic simulation codes. The program covered a broad range of topics, including density-functional theory (DFT), density-functional perturbation theory (DFPT), many-body perturbation theory (GW and BSE), Wannier functions, advanced electronic-structure methods, molecular dynamics, enhanced sampling techniques, and modern machine-learning approaches for materials simulations. Dr. Timrov, together with Prof. Matteo Cococcioni, delivered lectures and a hands-on tutorial on DFT+U and DFT+U+V methods, focusing on the first-principles calculation of Hubbard U and inter-site V parameters using linear response theory and its reformulation within density-functional perturbation theory (DFPT). The session introduced the theoretical foundations of these methods and demonstrated their practical implementation in the Quantum ESPRESSO package. A video recording of the lecture is available here.

SAMBA - Summer Academy For Modeling Batteries 2025

Dr. Timrov, Valentina Sanella, and Stefan Schären participated in the SAMBA Summer Academy for Modeling Batteries 2025 at DTU, Copenhagen, Denmark (1-5 September 2025). Dr. Timrov delivered a 1.5-hour lecture on "Extended Hubbard Functionals for Accurate Modeling of Li‑ion Battery Materials", while Valentina and Stefan participated to learn about advanced methods such as cluster expansion, Monte Carlo simulations, and core-level spectroscopies. Valentina Sanella and Stefan Schären presented a poster each on the topic of Na-ion batteries. The summer school was a fantastic opportunity to explore cutting-edge computational techniques for battery materials and engage with an international community of researchers. It was an inspiring and highly stimulating event for our group.

8th African School on Electronic Structure Methods and Applications - ASESMA 2025

Dr. Timrov co-organized and contributed to the 8th African School on Electronic Structure Methods and Applications (ASESMA) in Accra, Ghana (9-20 June 2025). The school brought together 51 participants from 17 African countries for two weeks of lectures, hands-on exercises, and collaborative projects, providing high-quality training in electronic-structure theory and simulations. This impactful programme, supported by international partners such as ICTP, MARVEL, CECAM, and ETH4D, continues to strengthen research capacity and foster collaboration across the African scientific community.
Read full story here.

Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response

In August 2023, Dr. Timrov co-organized the Advanced Quantum ESPRESSO School on Hubbard and Koopmans functionals, together with N. Colonna, A. Ferretti, and M. Cococcioni. The school was hosted at the University of Pavia and focused on state-of-the-art first-principles approaches for strongly correlated materials. Dr. Timrov delivered a lecture on “First-principles calculation of Hubbard parameters using linear-response theory” and led a hands-on session entitled “DFT+U and DFT+U+V: How does it work?”, where participants learned how to apply these methods in practice. The event attracted remarkable interest, with over 170 applications from around the world and 48 participants selected to attend in person. It provided an excellent platform for training early-career researchers and fostering exchange within the growing community working on Hubbard and Koopmans functionals in Quantum ESPRESSO.

7th African School on Electronic Structure Methods and Applications

In June 2023, Dr. Timrov participated in the 7th African School on Electronic Structure Methods and Applications held at EAIFR in Kigali, Rwanda. He delivered a lecture on “Advanced functionals” and led hands-on sessions on “Advanced functionals”, “Basic DFT”, and “Phonons”, providing participants with both theoretical background and practical training in state-of-the-art first-principles methods. The school brought together 44 early-career researchers from across Africa, offering a unique opportunity to develop computational skills in electronic structure methods and to engage with a growing community of scientists in the region. The combination of lectures and interactive exercises aimed to strengthen participants’ understanding of key concepts, enhance their ability to perform simulations independently, and foster collaborations within the African computational materials science community.

Older events

Full list of previous schools can be found here.

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