Machine learning presents a huge opportunity to identify new materials at a reduced cost

A new machine learning-based approach to predicting the properties of materials cut the computing power needed to analyze two million crystals from more than 20 million hours on a supercomputer to an afternoon on a laptop, the cost from as much as CHF 2 million to, essentially, nothing, and identified 90 previously unknown, thermodynamically stable crystals in the process. 

MARVEL Junior Seminar — February 2018

Welcome to the 13th MARVEL Junior Seminar on Thursday February 8, 2018, 12:15 pm, EPFL, room MED 0 1418. Spyros Zoupanos (EPFL, THEOS) gives a presentation on 'Overview of some of the latest AiiDA developments' and Senja Barthel (EPFL, LSMO) on 'Zeolites, triply periodic minimal surfaces, tilings, and carbon'. The seminar is facilitated by Michele Pizzochero.

Equal opportunity actions for young girls and boys at EPFL in 2018

MARVEL and EPFL Science outreach department announce four initiatives of the equal opportunities actions targeted at young girls and boys and taking place at EPFL in 2018.

Clemence Corminboeuf receives the 2018 Early-Career Award in Theoretical Chemistry

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.

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?''

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.

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.

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.

Machine Learning meets Advanced Manufacturing and Materials Science

The goal of this workshop is to bring together researchers and practitioners from machine learning, advanced manufacturing, and materials science, in order to give them the opportunity to present and discuss their work, to exchange information, and to discuss important open problems at the intersection of these fields.

Swiss Association of Computational Chemistry Spring Meeting 2018

Computational scientists and interested members of the academic and industrial chemistry community are invited to attend the SACC Spring meeting 2018 taking place in Bern on Wednesday Ferbuary 7, 2018. Please register before February 1.

SwissCompanyMaker 2018

A fast-paced workshop for aspiring entrepreneurs in science and technology! Is my idea worth pursuing commercially? What are my next steps? Register before February 11, 2018.

MARVEL Review and Retreat January 2025

The eleventh MARVEL Review and Retreat will take place on January 13-15, 2025. The event will gather all MARVEL members, group leaders as well as postdocs and students. Presentations will show to all the community where the projects stand and what are the next steps. 

CECAM-MARVEL Classics in molecular and materials modelling: David Ceperley and Claudia Filippi

David Ceperley (University of Illinois Urbana-Champaign, USA) and Claudia Filippi (University of Twente, NL) will give a joint lecture on "Quantum Monte Carlo, in what will be the 11th event in the series "Classics in molecular and materials modelling" hosted by CECAM and MARVEL.

MARVEL Distinguished Lecture — Gerbrand Ceder

The 39th NCCR MARVEL Distinguished Lecture will be given by Prof. Gerbrand Ceder (University of California, Berkeley). 

CECAM-MARVEL Mary Ann Mansigh series: Science and diplomacy

CECAM and MARVEL present a new event in our Mary Ann Mansigh Conversation series. In these complex times, we believe that the theme of Science and Diplomacy is of utmost relevance. We plan to address it from points of view that include education and scientific exchange in developing countries, the potential of computational science as a facilitator for diplomacy, actions of international institutions promoting peace and disarmament, and the management of cooperative research infrastructures in problematic areas.

MARVEL Distinguished Lecture — Alexandre Tkatchenko

The 39th NCCR MARVEL Distinguished Lecture will be given by Prof. Alexandre Tkatchenko, University of Luxembourg. He will be presenting a lecture entitled: "AI-Driven Fully Quantum Biomolecular Simulations".

Ig Nobel Award Tour Show 2018

Come and enjoy, laugh and think at the Ig Nobel Award Tour Show 2018 on Tuesday March 27 at 18:00 at EPFL, to discover how using a didgeridoo can treat obstructive sleep apnoea and snoring, to learn about some particular behavior of the mallard duck, and to find out when some people would be physically capable of running across the surface of a pond.

International Workshop on Computational Design and Discovery of Novel Materials

Visit the COMDI 2018 website! The International Workshop on Computational Design and Discovery of Novel Materials, open to the international community active in the field of MARVEL, will take place on September 10-12, 2018 at the SwissTech Convention Center, Lausanne. Registration is extended until 20 June 2018.