Frontiers of Multiscale Modelling in Materials, Energy & Catalysis IX

Key data

Venue: Castle Ringberg, Kreuth, DE
Start: 12:30 pm, Monday 13th February 2023
End: 02:00 pm, Friday 17th February 2023

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 Castle Ringberg, located in the Bavarian Alps offers a historical and idyllic setting: overlooking the Tegernsee, the castle was gifted to the Max-Planck-Gesellschaft and is used since as a common convention site for scientific meetings and workshops.

Topics

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

J. Behler, Georg-August-Universität Göttingen (DE)
M. Probert, University of York (UK)
R. Schmid, Ruhr-Universität Bochum (DE)
P. Rinke, Aalto University (FI)
T. Danner, Helmholtz Institut Ulm (DE)

Participation & Registration

During all time in the castle Ringberg 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’ (12’ talk; 8’ discussion) or a poster during the meeting.

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