Frontiers of Multiscale Modeling in Materials, Energy & Catalysis VI
venue: Guesthouse "zur Post" in Bad Gastein, Böckstein
start: 01:00 pm, Monday 13st January 2020
end: 05:00 pm, Friday 17th January 2020
organizers & contact: Sina Stocker, Carsten Staacke & Karsten Reuter
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 modeling, 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 spa town Bad Gastein (Austria) offers a truly idyllic setting: Embedded in a fabulous mountain valley our conference venue will provide a secluded and stimulating environment for deep discussions and fruitful scientific exchange.
Topics
- Data mining & machine learning
- Battery materials & technology
- Charge transfer, carrier mobility & electrochemistry
- Multi-scale modeling methodology (embedding & implicit solvation)
- Catalysis from first-principles
Confirmed Invited Speakers
- R. Schmidt, Ruhr University of Bochum (DE)
- M. Probert, University of York (UK)
- N. Marzari, École Polytechnique Fédérale de Lausanne (CH)
- more tba.
Participation & Registration
During all time in the ‘Guesthouse zur Post’ 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) during the meeting.
Registration will open soon…
Registration fee: 345 EUR
The registration fee covers accommodation in 2 to 6-people shared apartments and includes both breakfast and two selected dinners at the restaurant belonging to the hotel!
Additionally, all registered participants are welcome to use our provided bus service in traveling between ZOB/station Munich and Bad Gastein - Böckstein, on the selected dates and times (cf. Below).
To inquire after a place in our workshop, please contact one of the organizers (Sina Stocker or Carsten Staacke).
There & back again
The ‘Guesthouse zur Post’ is located in Bad Gastein – Böckstein a village in the district of St. Johann im Pongau, in the Austrian state of Salzburg. By car it is a 1h 30min drive from Salzburg city center.
Getting there by the arranged workshop bus:
Our workshop bus will depart from ZOB/station Munich on Monday 13th of January at around 9:00 am & will take you directly to the accommodation (ca. 3h 30min)!
The bus will return on the last day of the workshop, on Friday 17th of January at around 5:00 pm.
If you want to register for a seat on our bus from/to Munich, please contact Carsten Staacke or Sina Stocker. It is for free!
Travelling independently:
Alternatively, you can take the train from Salzburg to Bad Gastein. Change in Bad Gastein and catch the Skibus (10min) or a taxi (4min), which will leave you in Böckstein.