MARVEL Sector Days give industry a chance to help shape research

Research should be driven by societal issues—we need to pursue what is urgent and needed for the community at large. Just as the NCCR MARVEL seeks the guidance and expertise of a scientific advisory board in developing lines of research, we also seek insight from industry. 

MARVEL researchers, partners present work on materials for energy at Materials Science Day

NCCR MARVEL and CCMX, the Competence Centre for Materials Science and Technology, hosted their third annual Materials Science Day on October 8 to present both experimental and modeling approaches to the development of innovative new materials. The event, meant to highlight cutting-edge research and give people a chance to network, drew more than 60 people from industry and academia.

MARVEL researchers investigate how MOF structures affect dieletric properties

The modern microelectronics industry has a huge need for highly efficient electric insulators. Structures built around the medium with the lowest possible dielectric constant, that is, a vacuum, or air, may be their best bet. Metal-organic frameworks (MOFs) feature, among other advantages, large pores and poorly correlated scaffolding and so may serve this purpose well. Despite the huge potential, few studies have pursued either systematic experimental measurements or simulations to estimate the dielectric constant of MOFs. This lack of data makes it difficult to link properties and performance and hinders the design of an optimal structure–property correlation. NCCR MARVEL researchers looked to fill this gap in knowledge with a study into how the atomic and electronic structures of MOFs affect their dieletric properties. The results of their work were recently published in the Journal of the American Chemical Society. 

Machine learning approach predicts electron densities with DFT accuracy

Clémence Corminboeuf, Michele Ceriotti and colleagues at EPFL have developed a machine learning model that can predict the electron density from atomic coordinates. The approach may facilitate the characterization of non-covalent interactions, helping researchers  understand complex interactions between biomolecules and potentially assist in the design of self-assembled materials and drugs. The research was recently published in the journal Chemical Science.

Hybrid functional molecular dynamics give unprecedented view on the nature of the wet electron

The hydrated electron has been widely studied, but the atomistic mechanism leading to its formation and the nature of the precursor states remain poorly understood. One of those states, the wet electron, has been used to explain certain spectroscopic observations, but its binding energy and atomic structure have been difficult to characterize. Now, using hybrid functional molecular dynamics simulations, NCCR MARVEL researchers have unveiled the ultrafast solvation mechanism that leads to the hydrated electron. The picture gives an unprecedented view of the nature of the wet electron, instrumental to understanding the properties of this fundamental species in liquid water. The research has been published in Chemical Science.

Clémence Corminboeuf Featured on Swiss TV Mini-Documentary Series "Le Court du Jour"

Swiss television station RTS's « Le Court du Jour » is a series of short programs meant to provide the general public with a daily educational exploration of different domains. From culture to the environment, passing through the sciences, sport and health, “Le Court du Jour” addresses different topics with the aim of providing clear, entertaining information. Clémence Corminboeuf, professor at the Institute of Chemical Sciences and Engineering at EPFL and a member of MARVEL's Executive Committee, recently took part in a series called "Femmes de Science".

Nicola Spaldin wins 2019 Marcel Benoist Prize for work on multiferroic materials

Nicola Spaldin, ETH Zurich professor and NCCR MARVEL project leader has been awarded the 2019 Marcel Benoist prize—the "Swiss Nobel Prize"—for her groundbreaking research on multiferroics. This new class of materials responds to both magnetic and electric fields, a combination that does not generally occur simultaneously. This unusual property makes multiferroics promising materials that could, for example, replace silicon in future computer chips. 

MARVEL Summer Camp students “had a lot of fun, while working and learning new things”

This year’s Summer Camp “Des atomes aux ordinateurs” at EPFL attracted 21 high school students — 10 women and 11 men — for a full week of lectures, exercises and lab visits built around the theme of scientific programming. With motivations ranging from a general desire to learn more about EPFL overall to a passion for the chemical properties of different materials, students came from the Romandie and other parts of Switzerland — as well as France, the U.S. and even Hong Kong — to deepen their knowledge of the programming language Python. 

Psi-k conference

Psi-k 2022 is the 6th general conference for the worldwide Psi-k community. Typically held every 5 years, this event is the largest worldwide in first-principles simulations. With more than 1000 participants attending the past 2010 and 2015 editions, it promises to be the most exciting, defining event in the field, offering an intense but enjoyable atmosphere, in addition to a chance to explore the beautiful region around Lausanne and Lake Geneva.