Novel high-conductivity 2D semiconductors identified in new research

Using state-of-the-art density-functional perturbation theory and the Boltzmann transport equation, researchers led by Prof. Nicola Marzari, head of THEOS and NCCR MARVEL, investigated monolayer materials with outstanding transport properties to identify several high-conductivity materials. While some have only recently been discussed in the literature, others have never been presented in this context. Comparing the 11 monolayers in detail allowed the researchers to investigate how the strength and angular dependency of electron-phonon scattering drives key differences in transport performance. It also allowed them to show the limitations of selecting potentially interesting materials based on band properties alone.

New computational analysis introduces surface coverage as a descriptor for screening semiconductor catalysts for water splitting

In the paper “Evaluation of Photocatalysts for Water Splitting through Combined Analysis of Surface Coverage and Energy-Level Alignment,” a team of MARVEL researchers led by Alfredo Pasquarello, head of EPFL’s Chair of Atomic Scale Simulation have used computational analysis to identify a promising catalyst candidate for potential use in water splitting.  

Michele Parrinello awarded 2021 Benjamin Franklin Medal in Chemistry

Michele Parrinello, professor of Computational Sciences at ETH Zurich and the Università della Svizzera italiana as well as group leader in NCCR MARVEL's Design & Discovery Project 1, was awarded the 2021 Benjamin Franklin Medal in Chemistry along with Roberto Car of Princeton University in recognition of their exceptional achievements in the field of molecular dynamics. 

Michele Simoncelli wins the 2020 Chorafas Foundation Award for his contributions to the quantum theory of heat conduction in solids

Michele Simoncelli, a doctoral student at the Theory and Simulation of Materials (THEOS) lab of Professor Nicola Marzari and NCCR MARVEL, has been awarded the 2020 Chorafas Foundation Award for his contributions to the theory of heat conduction in solids. His PhD thesis is about two novel equations: the first sheds light on how heat propagates at the quantum mechanical level, and the second generalizes the 200-year old Fourier heat equation for the temperature, explaining why heat propagation can become fluid-like, rather than diffusive in electronic or phononic devices. His contributions have already been applied in the fields of renewable energies, aerospace and electronics. 

Two MARVEL researchers named associate professor by ETH Board

MARVEL PIs Michele Ceriotti, involved in Design and Discovery Projects 1 and 2 and Oleg Yazyev, involved in Design and Discovery Project 6, have been named associate professors by the ETH Board.

MARVEL Distinguished Lecture — Stefano Baroni

The 20th NCCR MARVEL Distinguished Lecture is given by Prof. Stefano Baroni, Professor of theoretical condensed-matter physics at the Scuola Internazionale Superiore di Studi Avanzati (SISSA) in Trieste, Italy, on "Gauge invariance of heat and charge transport coefficients".

MARVEL Distinguished Lecture — Silvia Picozzi

The 21st NCCR MARVEL Distinguished Lecture will be given by Prof. Silvia Picozzi, Director of Research at Consiglio Nazionale delle Ricerche (CNR) at the Institute for Superconducting and Innovative materials and Devices (SPIN) in Chieti, Italy. Her lecture is entitled "Spin-orbit coupling: a small interaction leading to rich physics".

MARVEL Distinguished Lecture — Jens K. Nørskov

The 22nd NCCR MARVEL Distinguished Lecture will be given by Prof. Jens K. Nørskov, Professor of physics at the Technical University of Denmark (DTU), on "Catalysis for sustainable production of fuels and chemicals".

MARVEL Junior Seminar — November 2020

The MARVEL Junior Seminar series is continuing in videoconferencing mode (and we'll hopefully be back soon with pizza and cakes!). We are therefore pleased to propose the 38th MARVEL Junior Seminar: Tobias Esswein (ETHZ) and Haiyuan Wang (EPFL) will present their research. The seminar will be chaired by Stefano Falletta.

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".