Newsletter - March 5, 2021

Dear MARVEL'ers,

Please find below our latest newsletter, with news and events linked to the MARVEL community. This month, read about a new straightforward method for probing the topological character of electronic bands in two-dimensional Moiré superlattices using Landau level sequences. Read too about a highly accurate machine-learning model that allows for a full quantum statistical and dynamical description of the solvated electron.

Take note of the upcoming MARVEL Distinguished Lectures, which will feature Kristin Persson and Georg Kresse in April and May, respectively. Furthermore, before that, David Vanderbilt and Raffaele Resta will be the next guests in the CECAM-MARVEL series "Classics in molecular and materials modelling" on March 23; with another event in the series featuring Daan Frenkel and Tony Ladd in May. Note too, the next MARVEL Junior Seminar on March 12.

Finally, to extend publicity and to encourage more female students to apply for INSPIRE Potentials Master's Fellowships, we count on you to broadcast the information.

Highlights

“Ghost particle” ML model permits full quantum description of the solvated electron

Pinning down the nature of bulk hydrated electrons—extra electrons solvated in liquid water—has proven difficult experimentally because of their short lifetime and high reactivity. Theoretical exploration has been limited by the high level of electronic structure theory needed to achieve predictive accuracy. Now, joint work from teams at the University of Zurich and EPFL and colleagues has resulted in a highly accurate machine-learning (ML) model that is inexpensive enough to allow for a full quantum statistical and dynamical description, giving an accurate determination of the structure, diffusion mechanisms, and vibrational spectroscopy of the solvated electron. This new approach, outlined in the Nature Communications paper Simulating the Ghost: Quantum Dynamics of the Solvated Electron, could also be applied to excited states and quasiparticles such as polarons and would allow for high-accuracy simulations at a moderate price.

Landau levels serve as probe for band topology in graphene Moiré superlattices

Researchers led by Oleg Yazyev, head of the Chair of Computational Condensed Matter Physics at EPFL, have determined a straightforward method for probing the topological character of electronic bands in two-dimensional Moiré superlattices using Landau level sequences. The results can be easily extended to other twisted graphene multilayers and h-BN/graphene heterostructures, making the approach a powerful tool for detecting non-trivial valley band topology. The paper Landau Levels as a Probe for Band Topology in Graphene Moiré Superlattices was recently published in Physical Review Letters.

Read MARVEL Highlights here.

Upcoming MARVEL Distinguished Lectures

MARVEL Distinguished Lecture — Kristin Persson

Apr 27, 2021, from 17:00 until 18:15, Zoom

The 23rd NCCR MARVEL Distinguished Lecture will be given by Prof. Kristin Persson, Professor of Materials Science and Engineering at the University of California Berkeley (USA) on "The Era of Data-Driven Materials Innovation and Design".

MARVEL Distinguished Lecture — Georg Kresse

May 18, 2021, from 15:00 until 16:15, Zoom

The 24th NCCR MARVEL Distinguished Lecture will be given by Prof. Georg Kresse, Professor of Computational Materials Physics at the University of Vienna – with a talk entitled: "Finite temperature properties with first principles accuracy, is machine learning the way to go?"

CECAM-MARVEL Classics in molecular and materials modelling: David Vanderbilt and Raffaele Resta

Mar 23, 2021, from 15:00 until 17:45, Online

David Vanderbilt (Rutgers University) and Raffaele Resta (IOM-CNR Democritos, Trieste) will give a joint lecture on "Berry phases in condensed matter physics", in what will be the third event in the series "Classics in molecular and materials modelling" hosted by CECAM and MARVEL.

CECAM-MARVEL Classics in molecular and materials modelling: Daan Frenkel and Tony Ladd

May 20, 2021, from 15:00 until 17:45, Online

Daan Frenkel (University of Cambridge) and Tony Ladd (University of Florida) will give a joint lecture in what will be the fourth event in the series "Classics in molecular and materials modelling" hosted by CECAM and MARVEL.

MARVEL Junior Seminar — March 2021

Mar 12, 2021, from 14:00 until 15:15, Zoom

The MARVEL Junior Seminar series is continuing in videoconferencing mode. We are therefore pleased to propose the 40th MARVEL Junior Seminar: Sauradeep Majumdar (LSMO, EPFL) and Abhinav Jain (LAMMM, EPFL) will present their research. The seminar will be chaired by Sara Fiore (ETHZ).

MARVEL Junior Seminar — April 2021

Apr 16, 2021, from 14:00 until 15:15, Zoom

The MARVEL Junior Seminar series is continuing in videoconferencing mode. We are therefore pleased to propose the 41st MARVEL Junior Seminar: Michele Kotiuga (THEOS, EPFL) and Sergi Vela (LCMD, EPFL) will present their research. The seminar will be chaired by Max Veit (COSMO, EPFL).

INSPIRE Potentials Master's Fellowships

Several "INSPIRE Potentials – MARVEL Master's Fellowships" in computational materials science, electronic-structure simulations, machine learning and big-data are available to outstanding women researchers for 6-month stays in Swiss research groups belonging to MARVEL.

In a field of science where women are still strongly underrepresented, the "INSPIRE Potentials – MARVEL Master's Fellowships" aim to support excellent female students in their Master's thesis projects, while giving them access to outstanding research facilities and environments. They consist of a 6-month 12'000 CHF fellowship (+ 500 CHF for travel + separate coverage of tuition fees and medical insurance (for non EU participants)). Already 31 fellows have been admitted.

The next deadline for submission is 15 April 2021.

To extend publicity and to encourage more female students to apply, we count on you to broadcast this information. All the information is available at http://nccr-marvel.ch/inspire.

Equal Opportunities

International Women's Day 2021

Mar 08, 2021, from 9:15 until 18:40, Online events

On March 8, EPFL and ETHZ propose online events on the occasion of International Women’s Day 2021. An opportunity to follow interesting debates about gender equity and discover inspiring careers.

Fix the leaky pipeline!

Mar 16, 2021, from 9:00 until 9:00, Online

Fix the leaky pipeline! — Kick off event 2021 — Save the date!!! Tuesday, 16 March 2021 — online.

11th edition of the Réseau romand de mentoring pour femmes

The Réseau romand de mentoring pour femmes is opening the call for its 11th edition. It is a mentoring program for women researchers from universities in the French speaking part of Switzerland and the EPFL, aiming at encouraging women to pursue an academic career and facilitating their integration into the scientific community.