News

  • Machine Learning Accelerates Discovery of New 2D Structure of Titanium Dioxide

    A new combination of structure prediction and machine learning methods has led to the discovery of a new 2D titanium dioxide structure that could eventually be used in hydrogen generation and energy storage.

  • Clemence Corminboeuf receives the 2018 Early-Career Award in Theoretical Chemistry from the ACS Physical Chemistry Division

    The PHYS awards committee of the ACS Physical Chemistry Division has selected Professor Clemence Corminboeuf, MARVEL group leader and head of the Laboratory for Computational Molecular Design at EPFL, to receive the 2018 Early-Career Award in Theoretical Chemistry for her development of novel methods and conceptual tools and their implementation and application to organic systems.

  • Young researchers realize that engaging in outreach activities can be both useful and rewarding

    Thibault Sohier and Rico Häuselmann, two young researchers active in the MARVEL group headed by Nicola Marzari, contribute to the success of EPFL’s visit to two high schools in Fribourg on October 31, 2017.

  • Anatole von Lilienfeld awarded an ERC Consolidator Grant

    Anatole von Lilienfeld, MARVEL group leader and head of a research group in the Chemistry Department of the University of Basel, was awarded an ERC Consolidator Grant by the European Research Council on 28 November 2017.

  • Download the Quantum Mobile Virtual Machine based on Ubuntu Linux with a collection of quantum simulation codes

    Quantum Mobile may be useful for exercises in physics, chemistry and materials science courses, for running quantum simulations without any setup, for experimenting with new codes, but also for managing production simulations on external supercomputers through AiiDA —Automated Interactive Infrastructure and Database for Computational Science.

  • New machine learning approach could accelerate materials optimization and drug discovery

    Researchers have developed a machine-learning model that may greatly accelerate drug discovery by accurately predicting the interactions between a protein and a drug molecule using only a handful of reference experiments or simulations. The algorithm, which can also tackle materials science problems such as modelling the structure of silicon surfaces, promises to revolutionise materials and chemical modelling, and gives insight into the nature of intermolecular forces.

  • Condensed Matter and Statistical Physics Postdoctoral Fellowships @ ICTP

    ICTP seeks applications for postdoctoral positions starting Fall 2018 from outstanding young scientists of any nationality with a strong research record; women are particularly encouraged to apply.

  • Permanent research positions in Cambridge, MA, USA - Computational design of energy materials

    Bosch Research is looking for computational physicists, chemists and materials scientists and engineers to join the growing materials design team.

  • Computational design of functional materials Postdoctoral and PhD positions @ Harvard University

    The newly established Materials Intelligence Research group at Harvard School of Engineering and Applied Sciences is seeking postdoctoral fellows and PhD students.

  • Looking for the organizing committee of the 2018 MARVEL Junior Retreat!

    Would you like to organize the fourth MARVEL Junior Retreat next summer? Read about the 2017 retreat that took place in Magliaso, Ticino and get a taste of this special event!

  • AiiDA developers meet again in the Swiss Alps to successfully improve the informatics platform

    Sixteen developers contributed to improve the AiiDA informatics platform during the second Coding in the Alps week taking place in Leukerbad on October 16-20, 2017. Let's hear them explain their work in a video.

  • What is computational thinking? Watch Craig Carter’s seminar at EPFL

    On November 10, 2017 Prof. W. Craig Carter from MIT, currently an invited professor at EPFL, gave a MARVEL ACCES Seminar entitled ''What is — and what isn’t — computational thinking? And, why and how should universities include it in curricula?''