Computer simulations unveil phase transitions in supercapacitors materials

In a study published in Proceedings of the National Academy of Sciences (PNAS), a research team led by CECAM deputy director at EPFL and MARVEL member Sara Bonella, has shown that the electrolyte behavior in proximity of the electrode may undergo complex phase transitions that drastically differ from the bulk liquid behavior– a key step to predict the performance of supercapacitors. The key innovation of the study was to combine a “classical” simulation and Mass Zero molecular dynamics (MaZe), that allows to study larger and more realistic physical systems. 

New model makes machine learning potentials more accurate and more accessible

A study in Nature Communications by Michele Ceriotti’s group at EPFL has introduced a new dataset and model that greatly improve the efficiency of machine-learning interatomic potentials (MLIPs) and their applicability for different chemical elements and material classes.  The first key innovation of the study is a brand-new dataset called Massive Atomistic Diversity (MAD), covering both organic and inorganic materials and ranging from 3D bulk structures to nanoclusters and molecules. The other  element is the network architecture itself, that unlike other models has few a priori assumptions and learns chemical symmetries during training.

Nicola Marzari and Ben Feringa win 2025 Feynman Prizes

The MARVEL director received the annual recognition by Foresight Institute for his theoretical contribution to nanotechnology, in particular "for developing the theoretical and computational infrastructure that underpins modern atomically precise materials discovery”. Established in 1993, the Feynman Prizes recognize exceptional accomplishments in nanotechnology. It is awarded for excellence in theory and experiment to the researchers whose recent work has most advanced the achievement of Feynman’s goal for nanotechnology: molecular manufacturing, defined as the construction of atomically-precise products through the use of molecular machine systems. The other winner, for Experiment, is the 2016 Nobel laureate Ben L. Feringa. 

Scientist in Marzari’s lab at EPFL receives the Newton International Fellowship and a major Chinese governmental award

 Changpeng Lin is among the recipients of the 2025 Royal Society Newton International Fellowship, that will allow him to research superconducting and electron fluid phases in strongly correlated materials. The research will work on the SNSF Synergia project "Hydronics" that involved several MARVEL members. On 5 December, Lin will also receive the Chinese Government Award for Outstanding Self-financed Students Abroad. 

MARVEL Junior Seminar - May 2026

The MARVEL Junior Seminars aim to intensify interactions between the MARVEL Junior scientists belonging to different research groups – this is held in hybrid mode, in order to maintain in-person contacts and allow off-campus attendees to follow the seminars remotely! We are pleased to propose the 73rd MARVEL Junior Seminar: Bruno Ploumhans (Mathematics for materials modelling - MatMat, EPFL) and Sofia Petrova (Computational Molecular Design Laboratory - LCMD, EPFL) will present their research.

2-week MARVEL-ICTP College: Materials simulations in the age of AI

The 2-week MARVEL-ICTP College in computational materials science will take place on 1-12 June, 2026 at ICTP in Trieste. This college is dedicated first and foremost to the MARVEL community, as well as junior researchers all around the world, with support also for those coming from emerging economies. It aims to bring together graduate students and early-career researchers from all over the world to learn and explore the state-of-the-art in computational materials science in the era of AI, and to forge the next generation of researchers in the field. DEADLINE for registration: 22 February for applicants requiring a visa and 27 March for all other applicants.

MARVEL Fest: party-ing away

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. Discover the preliminary program of July 9.

2-week MARVEL-ICTP College: Materials simulations in the age of AI

The 2-week MARVEL-ICTP College in computational materials science will take place on 1-12 June, 2026 at ICTP in Trieste. This college is dedicated first and foremost to the MARVEL community, as well as junior researchers all around the world, with support also for those coming from emerging economies. It aims to bring together graduate students and early-career researchers from all over the world to learn and explore the state-of-the-art in computational materials science in the era of AI, and to forge the next generation of researchers in the field. DEADLINE for registration: 22 February for applicants requiring a visa and 27 March for all other applicants.

MARVEL Fest: party-ing away

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. Discover the preliminary program of July 9.