New Materials Cloud Archive offers easier submission and record management for authors
After nearly 18 months of planning and programming, the team behind the new Materials Cloud Archive has unveiled a major reengineering based on the CERN-developed data technology that also drives the massive Zenodo repository. The new archive improves the user experience, permits the scaling needed to accommodate the growing number of submissions and helps moderators and developers focus on the core work of the archive—enabling the seamless sharing and dissemination of resources in computational materials science.
Virtual fireside chat series on DFT draws hundreds of participants
Density-functional theory has become a very popular and powerful approach to the calculation from first-principles of the properties of molecules and materials. In three two-hour sessions, dubbed "a great introduction to electronic structure calculations and DFT" by one Twitter user, Nicola Marzari provided a gentle introduction to the fundamentals, practical application and the capabilities and limits of the technique over Zoom. The first session maxed out at more than 500 participants before it even got started. The recordings are now available on Materials Cloud.
Wannier90 School goes virtual, saving some 30 metric tons of CO2
Wannier90 has recently become a community code with a wide base of contributors. It has grown significantly, gaining many novel features, an evolution that culminated in the release of a new version, a new website and a collaborative article. A 3-day school from 25 to 27 March 2020, originally meant to be held in Oxford, England, aimed to present the state-of-the-art functionalities, with a particular focus on the latest developments to new and experienced users and developers alike. The school was instead held in virtual form, saving an estimated 30 metric tons of CO2, and providing a template for future remote versions of the course.
Four new Agility Plus projects to cover research topics from crystal packing to topological materials
NCCR MARVEL Agility Plus grants are targeted at new junior PIs, particularly women, to help support either experimental or theoretical research that can be integrated into existing MARVEL projects. The grants will support a PhD student or half a postdoc between May 2020 and April 2022. The latest round of funding has now been granted to four projects covering topics ranging from machine learning in the sampling of crystal packing to topological materials with intrinsic magnetic ordering. The following projects, proposed respectively by Prof. Sereina Riniker, Dr. Emiliana Fabbri, Prof. Marta Gibert and Prof. Ana Akrap, have been funded.
Anatole von Lilienfeld discusses machine learning, new journal in PhysicsWorld interview
Anatole von Lilienfeld, project leader of NCCR MARVEL's Incubator Project 2 and professor of physical chemistry at the University of Basel, was recently named editor-in-chief of a new journal called Machine Learning: Science and Technology. In an interview with PhysicsWorld, he spoke about the role that machine learning plays in science, the purpose of the new journal and how he thinks the field will develop.
MARVEL/CECAM lecture series videos now available on Materials Cloud
Video recordings of lectures held as part of the CECAM/MARVEL "Classics in molecular and materials modeling" and the Mary Ann Mansigh conversation series are now available online on Materials Cloud.
Mathematics workshops Maths en jeu for girls and boys at EPFL
Registrations for the 2020-2021 edition of the mathematics workshops Maths en jeu open on 6 Feb 2020. These workshops are taking place at EPFL and target girls and boys 8 to 15 years old. They are part of the equal opportunities actions of the EPFL Science outreach department supported by MARVEL.
MARVEL researchers feature heavily in CHIMIA issue on artificial intelligence
Papers from NCCR MARVEL members Clemence Corminboeuf, Michele Ceriotti, Anatole von Lilienfeld and Teodoro Laino made up nearly half of the scientific articles included in CHIMIA's recent publication focused on Artificial Intelligence in Swiss Chemical Research.
Two new INSPIRE Potentials fellows will join MARVEL for their Master's research projects
We are happy to announce that Dune André (Ecole Normale Supérieure, Paris) and Yuting Chen (ETHZ) were granted INSPIRE Potentials – MARVEL Master's Fellowships after the October 2019 call. The two women will join MARVEL labs for a 6-month Master's research project — congratulations!
Equal opportunity activities for young girls and boys at EPFL in 2020
MARVEL and EPFL's Science Outreach Department are pleased to announce three equal opportunity initiatives targeting girls and boys 7 to 13 years old. One science workshop on materials and two camps on materials and chemistry supported by MARVEL will take place at EPFL in 2020. Registrations are open and fill up quickly.
MARVEL director Marzari again recognized on Highly Cited Researchers list
NCCR MARVEL director Nicola Marzari has once again been named to the Web of Science Group’s annual list of Highly Cited Researchers. Now in its sixth year, the citation analysis identifies influential researchers as determined by their peers around the globe.
Prof. Clemence Corminboeuf interviewed for "100 Women and Thousands More" project
Professor Clémence Corminboeuf, head of the Laboratory for Computational Molecular Design at EPFL and part of MARVEL’s Executive Committee, has been interviewed as part of “100 Women and Thousands More,” a campaign aiming to show young people – especially girls – the wide range of exciting paths taken by women living in French- and Italian-speaking Switzerland and neighboring France. Most of the women interviewed completed training or pursued careers in fields considered “male” and such career choices are often seen as exceptions to the norm. The multi-partner campaign aims to do away with this misconception by providing role models and challenging prevailing stereotypes.