• Home
  • About
    • Toolbox
  • Research
    • Projects
    • Publications
    • Dataset index
    • Codes
  • People
    • Governance
    • Projects
    • Everyone
    • Alumni
  • Outreach
    • Equal Opportunities
    • Education and Training
    • Knowledge transfer
    • Technology transfer
  • Highlights
  • News
  • Events
NCCR MARVEL
Highlight: Graph neural network parametrized potentials describe intermolecular interactions

Highlight: Graph neural network parametrized potentials describe intermolecular interactions

Equal OpportunitiesEducation and TrainingKnowledge and Technology Transfer

Newsletter

Subscribe to our newsletterNewsletter Archives

Social Network

Follow us on TwitterFollow us on LinkedIn

Materials Cloud

Materials Cloud is a web platform conceived to assist Materials Scientists

A platform for open science with educational, research, and archiving tools, simulation software and services, curated and raw data.

Scientific Highlights

  • Temperature dependence of energy band gap suggests ZrTe5 is a weak topological insulator

  • Graph neural network parametrized potentials describe intermolecular interactions

  • Solids that are also liquids: elastic tensors of superionic materials

  • Theory-guided design identifies single-phase high entropy alloys with appealing properties

Feature Stories

  • MARVEL and CSCS: a partnership built for exa-scale computing in materials science

  • AiiDA lab allows researchers to “focus on science rather than on setting up simulations”

  • MARVEL researchers, partners present work on materials for energy at Materials Science Day

  • MARVEL Sector Days give industry a chance to help shape research

Who's behind MARVEL?

Norma Rivano

Norma Rivano was an INSPIRE Potentials Master student in the group of Nicola Marzari and is now a PhD student in the same group. You can read an interview with her here. Read more

Latest News

  • Meet former and current INSPIRE Potentials fellows as #NCCRWomen of MARVEL

  • INSPIRE Potentials fellow Virginie de Mestral outlines highlights of program in video

  • Meet some #NCCRWomen researchers of MARVEL

  • NCCR MARVEL, CECAM support new ELLIS program on Machine Learning for Molecule Discovery

  • EAIFR’s Ndengué brings experience in quantum dynamics to photocatalytic water splitting project

  • Four new INSPIRE Potentials fellows will join MARVEL for their Master's research projects

Upcoming Events

  • EPFL Open Days 2023

    April 29-30, 2023, EPFL
  • MARVEL Distinguished Lecture — Claudia Felser

    May 02, 2023, 15:00, Zoom
  • MARVEL Distinguished Lecture — Emmanouil Kioupakis

    June 20, 2023, 15:00, Zoom
  • MARVEL Review and Retreat January 2024

    January 17-19, 2024, Sunstar Hotel, Grindelwald
  • About MARVEL
  • Contact
  • Credits
Fonds National Suisse
The National Centres of Competence in Research (NCCRs) are a funding scheme of the Swiss National Science Foundation
  • Home
  • About
    • Toolbox
  • Research
    • Projects
      • Projects
      • Publications
      • Dataset index
      • Codes
    • Publications
      • 2023 (partial)
      • 2022
      • 2021
      • 2020
      • 2019
      • 2018
      • 2017
      • 2016
      • 2015
      • 2014
    • Dataset index
      • Pillar 1
      • Pillar 2
      • Pillar 3
      • Pillar 4
      • ASM
      • QS
      • DD1
      • DD2
      • DD3
      • DD4
      • DD5
      • DD6
      • Inc1
      • Inc2
      • OSP
      • HPC
    • Codes
  • People
    • Governance
      • Executive Committee
      • Management Team
      • Data Team
      • Scientific Advisory Board
      • Industrial Advisory Board
    • Projects
      • Novel Materials
      • Machine Learning
      • Open Digital Infrastructure
      • Swiss Scientific Landscape
      • Advanced Simulation Methods
      • Quantum Simulations
      • Agility Plus
    • Everyone
    • Alumni
  • Outreach
    • Equal Opportunities
      • Women of MARVEL
      • Women as role models
      • INSPIRE Potentials – MARVEL Master's Fellowships
      • Training, coaching and mentoring
      • Work-life balance
      • Actions towards girls and young women
      • Equal opportunities team
      • Why an underrepresentation of women?
    • Education and Training
      • MARVEL Distinguished Lectures
      • MARVEL Junior Seminars
      • For PhD students and postdocs
      • Courses at the Master level
      • For the younger generation
      • For emerging countries
    • Knowledge transfer
      • Activities organized/sponsored by MARVEL
    • Technology transfer
      • Events for companies
      • Translational research
  • Highlights
  • News
    • Communication
    • Prizes and awards
    • Job announcements
  • Events
    • Past events