eSSENCE-EMMC Multiscale Modelling Meeting 2021, June 7-8 (virtual)


eSSENCE-EMMC e-Meeting on "Multiscale modelling of materials and molecules - physics-based and data-driven"

Date: 07.06.202108.06.2021
City: Uppsala
Country: Sweden
Organisers: Uppsala University (co-organised by EMMC)


Time & Place
Our web meeting will take place on 7 - 8 June, between 12:00 and approx. 18:00 (CEST) both days.

Invited keynote speakers
  • Georg Kresse (Professor, University of Vienna, Austria) "Finite temperature properties with first principles accuracy, is machine learning the way to go?"

  • Julia Contreras-García (Professor, CNRS - Paris, France) "Revealing intermolecular interactions, ionic interactions and more using the reduced density gradient and other tools"

  • Olle Häggström (Professor, Chalmers University of Technology, Sweden) "AI and the Algorithms that govern your life (for better or worse)"

  • Alejandro A. Franco (Professor, Université de Picardie Jules Verne, France) "Battery processes: modelling at the coarse-grained and continuum levels"

  • Anders Hagfeldt (Professor, Vice-Chancellor, Uppsala University, Sweden) "Solar power nanoscience: observations from experiment and (some) insights from theory"

Conference themes

Multiscale modelling (coupling & linking of models) is a central theme in computer simulations/calculations and it is also a central theme of this meeting. We will use the term multiscale in an open and inclusive sense at this meeting.

Overall, advanced methods and models are the eSSENCE of the meeting and they are needed . . . to bridge the scales . . . to combine physics-based and data-driven approaches . . . to help modellers identify important relations and descriptors and . . . to embark on new S&T fields including complex realistic industrial problem.

There will be dedicated presentations on:

  • Methods, models and codes

  • Multiscale modelling (including physics-based + data-driven)

  • Batteries and energy materials

  • Molecules and molecular systems

  • Exciting modelling applications

  • Industrial modelling

  • And more ...


See "Program".

Registration & Deadlines

Registration is now open. Welcome to register!

Welcome to submit a contribution! If you want to have a poster (with or without an oral microprestantion) please register at the latest on Tuesday 1 June.

For participants without posters the actual deadline is Sunday 6 June, although we of course appreciate early registration.

Conference components

Questions to the speakers and vivid discussions will be encouraged. We will have key-note talks, invited talks (soon to appear), and an e-poster session. The posters will be shown in an e-gallery and presented orally at the meeting (for those who wish). Posters on any of the themes of the meeting are all welcome!

It is of course also perfectly fine to participate without a presentation.

Instructions for the e-poster presenters can be found here. In the first step, however, you just have to register yourself and your contribution. For invited speakers, dedicted information is found here.

All registered participants will receive a link to the meeting shortly before the start of the conference.

The e-conference is free of charge. The Zoom platform will be used.

This meeting is arranged by the Swedish national strategic e-science research programme eSSENCE in collaboration with the EMMC - European Materials Modelling Council and with colleagues from our sister programme SeRC.


Kersti Hermansson, Peter Broqvist and team
Uppsala University

European Materials Modelling Council
Silversquare Stéphanie
Avenue Louise 54
1050 Brussels
CBE no: 0731 621 312