AiiDA used to drive experiments for the first time, matched with Empa’s Aurora robotic platform

A new study shows how MARVEL's computational workflow engine AiiDA can be used not only to run computer simulations, but also actual experiments. Researchers from PSI, Empa, EPFL, ETH Zurich, and Technische Universität Berlin interfaced AiiDA with a robotic platform that automates battery experiments. AiiDA takes case of controlling the experimental devices, archiving and analyzing the resulting data, a first step toward fully autonomous self-driving labs. 

Materials follow the 'Rule of Four', but scientists don’t know why yet

A new study by MARVEL researchers describes an unexpected "rule" followed by about 60 per cent of structures included in large databases of computational and experimental materials: their primitive unit cells are made out of multiples of four atoms. The scientists tried many different explanations, considering the role of specific chemical elements as well as formation energy and symmetry, but a convincing explanation is yet to be found. Still, the scientists could use an algorithm to predict with high accuracy whether a given compound will follow the Rule of Four or not.

The Materials Cloud Archive has published its 1000th record

Launched in 2017, this open repository for materials science data has kept growing constantly since then and is now one of the repositories of choice recommended by the European Commission, the  Swiss National Science Foundation and Nature Scientific Data. A new version with improved features will be launched in the second half of 2024, while the BIG-MAP  project will apply the same technology to create a restricted-access archive for sharing data within collaborations.

MARVEL Distinguished Lecture — Massimiliano Di Ventra

The 37th NCCR MARVEL Distinguished Lecture will be given by Prof. Massimiliano Di Ventra, University of California, San Diego. He will be presenting a lecture entitled: "MemComputing: when memory becomes a computing tool".

MARVEL Junior Seminar — May 2024

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 59th MARVEL Junior Seminar: Raymond Amador (nanotech@surfaces, Empa) and Enrico Di Lucente (THEOS, EPFL) will present their research. 

CECAM-MARVEL Classics in molecular and materials modelling: Bill Jorgensen and Shoshana Wodak

Bill Jorgensen (Yale University) and Shoshana Wodak (the Flemish Free University of Brussels) will give a joint lecture on "Methods for computational biology and drug discovery", in what will be the tenth event in the series "Classics in molecular and materials modelling" hosted by CECAM and MARVEL.

2024 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 2024, it will take place from 24 to 28 June at EPFL and registrations are open until 12 May.