Improved modelling of the Pockels effect may help advanced optoelectronic technology

A new article by MARVEL scientists published in Physical Review B presents a new computational framework to simulate the behavior of tetragonal barium titanate (BTO), a ferroelectric perovskite that can be used as an alternative to silicon in photonic integrated circuits, that use photons instead of electrons to encode and transmit information. The core of the study is the modelling of the Pockels effect, a change in the refractive index of the material in the presence of an electric field that can be used to encode information. The authors, from Mathieu Luisier’s lab at ETH Zurich and Nicola Marzari’s group at EPFL, devised a computational framework that is independent of specific functionals and relies only on standard Density Functional Theory. The results were validated by comparing them to existing experimental results, and to previous calculations based on other computational methods.

Metatensor Ecosystem Workshop

This is a MARVEL-wide "Metatensor Ecosystem Workshop", to be held on June 13, 2025 at the EPFL main campus. The workshop introduces the Metatensor ecosystem, an interoperable collection of software from COSMO developed in part for MARVEL Pillar 2. Metatensor addresses all the practical needs associated with atomistic machine learning (ML), from data storage and handling to model training with various ML architectures for a variety of learning targets. 

2025 Summer camp for high-school students

The 1-week camp entitled Des atomes aux ordinateurs, à la découverte de la programmation scientifique is open to teenagers in the last two years of high-school, with no high-level in maths or physics prerequisite. A prior knowledge of the basics of programming is recommended. It is possible to acquire these notions independently if necessary (within 3-4 hours). Half of the seats are reserved for young women. In 2025, it will take place from 23 to 27 June at EPFL. Registrations are open from 3 March until 13 April.

Psi-k 2025 conference

Psi-k 2025 is the 7th general conference for the worldwide Psi-k community. Held every 5 years, this event is the largest worldwide in first-principles simulations. With more than 1200 participants attending the last edition, the conference is returning to Lausanne this year.  It promises to be the most exciting, defining event in the field, offering a stimulating and enjoyable atmosphere, in addition to a chance to explore the beautiful region around Lausanne and Lake Geneva.  

2-week MARVEL-ICTP College in computational materials science

This 2-week MARVEL-ICTP College in computational materials science will take place on June 1-12, 2026 at ICTP in Trieste. The event is dedicated to MARVEL PhD students and early postdocs, as well as students all around the world, with support also for those coming from emerging economies. This will be our core educational event, bringing ~200 researchers to work and live together for 2 weeks.

MARVEL final event at EPFL

On July 9-10, 2026, MARVEL final event at EPFL will close 12 years of research and activities on computational materials science. This event will be dedicated to the accomplishments of MARVEL and to the relevance of these to the industrial and technological ecosystem, inviting alumni and key players worldwide in academia and industry, SNSF review panel, scientific and industrial advisory boards, EPFL leadership, and scientific journalists.