Frontiers of Multiscale Modelling inMaterials, Energy & Catalysis VIII

Frontiers of Multiscale Modelling in
Materials, Energy & Catalysis VIII

Key data

Venue: Havet Hotel Resort & Spa, Dźwirzyno, Poland
Start: 01:00 pm, Monday 30th May 2022
End: 02:00 pm, Friday 03rd June 2022

Organizers & contact

Scope & Venue

As in many other areas of materials science, modern computational science is becoming a key contributor in the quest to quantitatively understand the molecular-level mechanisms underlying macroscopic phenomena in chemical processing. At present this is an issue that receives even further stimulus from the basic energy science perspective which will ultimately enable a rational design of novel catalysts, efficient energy suppliers, and improved production strategies.
Our workshop focuses on combining efforts across multiple disciplines towards comprehensively linking the insights that modelling, simulation and data science can provide across all relevant length and time scales: from first-principles electronic structure calculations on the molecular level, to statistical simulations at the mesoscopic scale, and up to continuum theories relevant to the macroscopic scale. In an informal spirit, the workshop will launch a series of oral presentations from all participants, allowing plentiful time in between for questions, comments, and discussions. Furthermore, additional time will be purposefully reserved during the day for more informal discussions and group activities.
For this purpose, the Havet Hotel Resort & Spa at the baltic Sea in Poland offers a truly idyllic setting:  Enjoy the luxurious hotel by the sea, where the aromas of the pine forest blend with the sea breeze promoting tranquillity. Apartments with a sea view, a private beach and a sea of attractions on the site will provide a secluded and stimulating environment for deep discussions and fruitful scientific exchange.


  • Data mining & machine learning
  • Battery materials & technology
  • Charge transfer, carrier mobility & electrochemistry
  • Multi-scale modelling methodology (embedding & implicit solvation)
  • Catalysis from first-principles

Confirmed Invited Speakers

  • T. Bligaard, Technical University of Denmark (DNK)
  • A. Groß, Ulm University (DE)
  • T. Hickel, Bundesanstalt für Materialforschung (DE)
  • R. Schmid, Ruhr University of Bochum (DE)
  • J. Rogal, Free University (DE) & New York University (US)

Participation & Registration

During all time in the Havet Hotel we aim at creating a lively scientific exchange and discussions with active participation from everyone.
All participants will therefore be asked to submit a short abstract upon registration & contribute with an oral presentation of 20’ (15’ talk; 5’ discussion) or a poster during the meeting.

For participation inquiries, please contact one of the organisers (Thorben Eggert or Alexandra M. Dudzinski).

There & back again

The Havet Hotel Resort & Spa is located in Dźwirzyno, which is a small town close to Kolberg.

HAVET Hotel & Spa
ul. Wyzwolenia 29
78-131 Dźwirzyno, 
T: +48 94 711 36 00
F: +48 94 711 36 01

Getting there by the arranged workshop bus:
Our workshop bus will depart from the Fritz-Haber Institute (Faradayweg 4-6, 14195 Berlin) on Monday 30th of May at around 8:00 am & will take you directly to the venue (ca. 3h 30min)! The bus will return on the last day of the workshop, on Friday 3th of June at around 3:00 pm.
If you want to register for a seat on our bus from/to Berlin, please contact Thorben Eggert or Alexandra Dudzinski.

Go to Editor View