Enhancing disorder to create order

Considering how it can unexpectedly screw up almost anything, from Napoleon’s military campaign to your medical treatment, it would be nice to be able to control polymorphism: to have a way to predict whether a substance has polymorphs, and if so, which polymorphs form under which conditions. In a recent paper, MARVEL researchers Pablo Piaggi and Michele Parrinello set out to understand the phenomenon.

The Science Behind Modeling Materials at the Atomic Scale

There’s a lot of mystique around quantum mechanics, but it’s actually very simple, says Nicola Marzari, director of the Swiss National Centre of Competence in Research (NCCR) MARVEL, a center for the computational design and discovery of novel materials.

New Convex Hull Framework Provides More Efficient Means of Identifying Synthesizable Materials Candidates

EPFL Professor and NCCR MARVEL researcher Michele Ceriotti and colleagues at the University of Cambridge in the U.K. have developed a computational method to more efficiently identify materials candidates that are likely synthesizable.  

Oleg Yazyev wins a Latsis University Prize

NCCR MARVEL’s Professor Oleg Yazyev, who holds the Chair of Computational Condensed Matter Physics C3MP at EPFL, has been awarded a Prix Latsis universitaire 2018 for his work in the computer simulation of two-dimensional and topological materials. 

EPFL Scientastic 2018

The 2018 edition of Scientastic, the EPFL Science Festival, being held on Saturday 10 and Sunday 11 November, will bring you to the heart of the digital world: MARVEL will be part of the adventure.

MARVEL Junior Seminar — November 2018

Welcome to the 19th MARVEL Junior Seminar on Thursday November 8, 2018, 12:15 pm, EPFL, room ELA2. Daniele Ongari (EPFL, LSMO) gives a presentation on 'AiiDA for gas adsorption in nanoporous materials' and Francesco Nattino (EPFL, THEOS) on 'Continuum models of the electrochemical diffuse layer in electronic-structure calculations'. The seminar is chaired by Kun-Han Lin.