In collaboration with the Università della Svizzera Italiana

Welcome on board

The goal of the NCCR-MARVEL is to radically transform and accelerate invention and discovery in science and technology, and especially to transform and accelerate the design and discovery of novel materials in order to achieve improved properties and performance, or to witness the emergence of original physical properties. We will achieve this goal by exploiting the predictive accuracy that quantum-mechanical simulations have now reached for realistic, complex systems, the treasure trove of ever-increasing computational power ideally suited to intrinsically parallel problems, and the powerful synergies arising with the computer science of heterogeneous data management, data mining, and machine learning.

Berend Smit

Since July 2014, Berend Smit is professor of chemical engineering at the School of Basic Sciences at EPFL where he is the director of the Energy Center. Within MARVEL, he is a group leader in Horizontal Project 4. Read more

  • Artificial intelligence helps in the discovery of new materials

    With the help of artificial intelligence, MARVEL chemists from the group of Prof. Anatole von Lilienfeld at the University of Basel have computed the characteristics of about two million crystals made up of four chemical elements. The researchers were able to identify 90 previously unknown thermodynamically stable crystals that can be regarded as new materials. 

  • Elusive quasiparticle discovered in diphosphide materials

    A team of MARVEL researchers of both the group of Prof. Oleg Yazyev at EPFL and the group of Prof. Matthias Troyer at ETHZ have predicted the existence of Weyl fermions in two Weyl semimetals, molybdenum diphosphide and tungsten diphosphide. The scientists used a high-throughput computational method screening a large database of existing materials, performing electronic-structure computations for each candidate.

  • New particle could form the basis of energy-saving electronics

    The Weyl fermion, just discovered in the past year, moves through materials practically without resistance. Now MARVEL researchers at PSI (group of Ming Shi) and EPFL (group of Oleg Yazyev) are showing how it could be put to use in electronic components. 

  • MARVEL Distinguished Lecture — Clare P. Grey

    October 26 2016 at EPFL, MXF1

    Wednesday October 26, 2016, 5:15 pm, EPFL MXF-1,  Prof. Clare P. Grey (University of Cambridge, UK), Structure and Dynamics in Batteries, Supercapacitors and Fuel Cell Materials: Application of New Experimental and Theoretical Approaches to Study Function

  • MARVEL School on Variationally Enhanced Sampling

    from 14 to February 17 2017 at Università della Svizzera italiana (USI), Lugano

    This MARVEL school will cover the use of variationally enhanced sampling for obtaining free energies and kinetic rates both from classical and ab initio molecular dynamics. Other methods such as metadynamics will also be covered. Focus will be made on the use of these methods for applications related to materials science. The school will include hands-on tutorials using PLUMED 2 with various molecular dynamics codes. 

  • MARVEL site visit 2017

    from 25 to April 26 2017 at EPFL

    The third MARVEL site visit will take place at EPFL on April 25-26, 2017.