What MARVEL is doing is a dream come true for researchers in the field

Scott Auerbach, Professor of Chemistry and Chemical Engineering at the University of Massachusetts, Amherst, USA, arrived at MARVEL as a visiting professor at the beginning of February. Here for five months, he is continuing his research on zeolites, using simulations to better understand the chemistry that goes on inside these nanoporous materials as well as investigating how they form in the first place. He is also skiing and enjoying the lake. Here is a conversation with Prof. Auerbach to get his take on MARVEL.

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.

MARVEL Junior Seminar — May 2018

Welcome to the 16th MARVEL Junior Seminar on Thursday May 3, 2018, 12:15 pm, EPFL, room MED 0 1418. Nicola Colonna (EPFL, THEOS) gives a presentation on 'Koopmans-compliant functionals: A reliable and efficient tool for the prediction of spectroscopic quantities' and Francesco Maresca (EPFL, LAMMM) on 'Structure and mobility of the austenite/martensite interface in steels'. The seminar is facilitated by Davide Campi.

MARVEL Distinguished Lecture — Raffaele Resta

Wednesday May 23, 2018, 16:15 pm, EPFL, Room MXF1, Prof. Raffaele Resta (Democritos, IOM-CNR, Trieste, Italy), Geometrical observables of the electronic ground state.

IBM Research Forschungspreis 2017 awarded to master student in Jürg Hutter's group

Corina Keller, a student in Jürg Hutter's group at the University of Zurich, is awarded the IBM Research Forschungspreis for her MSc Thesis entitled “Simulation of Dynamic Atomic Force Microscopy Images". She will receive the prize from the president of the University next week during the Dies Academicus.

Former MARVEL postdoc Giulia Palermo nominated Assistant Professor at University of California Riverside

Giulia Palermo is a computational biophysicist with expertise in molecular simulations. She was an early post-doctoral scientist in the NCCR MARVEL affiliated group of Prof. Ursula Röthlisberger at EPFL from 2014 until 2016, where she earned expertise in ab-initio molecular dynamics (MD) methods and in their application to biological systems.

Join users and developers’ meetings to improve AiiDA functionalities!

Are you interested in participating in AiiDA related meetings in the future, and in receiving news and announcements pertaining to AiiDA? Make sure to subscribe to the AiiDA user mailing list!

Almost famous, a woman behind the codes - watch the recorded film

Watch the videos made during this event! On November 15, 2017, CECAM and NCCR MARVEL invited a truly outstanding representative of the first generation of coders, Mary Ann Mansigh Karlsen, to share her recollections of those pioneering efforts.  

2018 Workshop on Fortran Modernization for Scientific Applications (ForMoSA18)

The three days workshop is aimed at programmers, active in the development of a scientific application written in Fortran, who want to write modern code or modernize existing codes. It consists of lectures, invited speakers presentations, and practical hands-on sessions. The workshop is free of charge, registration is required before the end of April 2018.

2018 High-school students summer camp

The 2-week camp entitled "From atoms to computers — Discovering scientific programming"  is open to teenagers aged 16 to 19 years old, corresponding to the last two years of high-school, with no high-level in maths or physics prerequisite and no prior programming knowledge required. Half of the seats are reserved for young women.

CECAM/Psi-k School - Path Integral Quantum Mechanics: From the Basics to the Latest Developments

As with all CECAM events, there are no conference fees, but it is essential that students apply soon, as only a limited number of seats can be offered. Due to generous funding from CECAM, Psi-k, and MARVEL, organizers will be able to provide partial funding to cover travel or accommodation to some participants. Review of applications for funding will begin on March 2nd, 2018 and will continue until all funding has been allocated.

Two MARVEL sessions at the 2018 SPS Annual Meeting!

The next annual SPS meeting is organized in collaboration with the Swiss Institute of Particle Physics (CHIPP) and the NCCR MARVEL (Computational Design and Discovery of Novel Materials). The program will consist of the approved mix of plenary talks, topical sessions and poster exhibition. Abstract submission is EXTENDED until Sunday May 13, 2018.

CCMX – NCCR MARVEL Materials Science Day 2018

Make sure to network with colleagues from the materials science scene in Switzerland! The NCCR MARVEL and CCMX are co-organizing their second Materials Science day, featuring both experimental and modelling approaches to current challenges in materials science. 

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".