In collaboration with the Paul Scherrer Institute

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.

Zhendong Guo

Zhendong Guo is a PhD student in the group of Alfredo Pasquarello. Read more

  • Sandra Luber receives the 2017 Clara Immerwahr Award

    Dr. Sandra Luber, MARVEL member and project group leader in computational chemistry and materials science at the University of Zurich, has been granted the Clara Immerwahr Award 2017 for her outstanding research contributions to the field of catalysis.

  • Nicola Spaldin receives the 2017 L’Oréal-UNESCO For Women in Science Awards

    Professor Nicola Spaldin, group leader in MARVEL, and professor of Material Theory at ETH Zurich, has been awarded the prestigious 2017 L’Oréal-UNESCO For Women in Science Awards “for her groundbreaking multidisciplinary work predicting, describing and creating new materials that have switchable magnetic and ferroelectric properties.”

  • MARVEL Junior Seminar — December 2016

    December 15 2016 at EPFL, MED 2 1522

    Welcome to the second MARVEL Junior Seminar on Thursday December 15, 2016, 12:15 pm, EPFL, room MED 2 1522. Zhendong Guo (EPFL, CSEA) will give a presentation on 'Band Alignment at semiconductor-water interfaces' and Sandip De (EPFL, COSMO) on 'Analysing and Rationalising Molecular and Materials Databases Using Machine-Learning'. The seminar will be facilitated by Michele Pizzochero.

  • MARVEL Distinguished Lecture — Laura Gagliardi

    December 20 2016 at EPFL, MXF1

    Tuesday December 20, 2016, 5:15 pm, EPFL MXF-1,  Prof. Laura Gagliardi (University of Minnesota, USA), Homogenous and heterogeneous catalysis:  two challenges for modern quantum chemistry

  • 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.