Frontiers of Multi-scale Modeling in Materials, Energy & Catalysis III
Venue: Hotel Bretterbude, Heiligenhafen, Germany
Start: 16:00 pm, Monday 3rd July 2017
End: 14:00 pm, Friday 7th July 2017
Organizers & Contact: Georg Michelitsch & David Egger, 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 and simulation 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.
Our workshop venue offers a truly idyllic setting for this as it lies between the natural reserve Graswarder and one of the most beautiful yacht basins in the Baltic sea. Within walking distance of the hotel is the center of Heiligenhafen which has just celebrated its 250-year anniversary and has kept the charm of a traditional German fishing town. On its other side, kilometers of beaches and dunes... Overall, a perfect secluded and stimulating environment for deep discussions and fruitful scientific exchange...
Topics
- Dynamics at Surfaces
- Battery materials & technology
- Charge transfer, carrier mobility & electrochemistry
- Multiscale modeling methodology (embedding & implicit solvation)
- Surface spectroscopy & magnetism
- Catalysis from first-principles
- Clusters, MOFs and functional molecules
Confirmed Invited Speakers:
M. Probert, University of York (UK)
Aleksandra Vojvodic, University of Pennsylvania (USA)
Hendrik Bluhm, Berkeley Lab (USA)
Patrick Rinke, Aalto University (Finaland)
Josef Granwehr, Forschungszentrum Jülich (Germany)
Rochus Schmid, Ruhr-University Bochum (Germany)
Participation & Registration
During our time at Heiligenhafen, we aim at creating a lively forum for scientific exchange & discussions with active participation from every one!
All participants will therefore be asked to submit a short abstract upon registration & contribute with an oral presentation of 25' (15' talk; 10' discussion) during the meeting.
Registration is now open!
Registration fee: 295 EUR
The registration fee covers accommodation at Hotel Bretterbude in 3-people shared rooms and includes both breakfast at the hotel and selected dinners at local restaurants!
Additionally, all registered participants are welcome to use our provided bus service in traveling between Hamburg airport and Heiligenhafen on the selected dates and times (cf. below).
To inquire for a place in our workshop, please contact one of the organizers: Georg Michelitsch, David Egger.
There & back again
Heiligenhafen is a town in the district of Ostholstein, in Schleswig-Holstein, Germany. It is situated on the Baltic Sea coast, approx. 60 km northeast of Lübeck, and 55 km east of Kiel.
Travelling with the arranged workshop bus:
Our workshop bus will depart from Hamburg airport on Monday 3rd July at 12pm & will take you directly to Hotel Bretterbude (ca. 2 hours)!
The bus will return on the last day of the workshop, i.e. Friday 7th July, at ca. 2pm (exact time will be announced).
If you want to register for a seat on our bus from/to Hamburg airport, please contact Georg Michelitsch. It is for free!
Travelling independently:
Alternatively, you can go through Oldenburg in Ostholstein which is easily reachable by train from Hamburg or Lübeck. Buses #5804 or #5811 from Oldenburg ZOB (main bus station) will then take you directly to "Wilhelmsplatz" station in Heiligenhafen. Hotel Bretterbude is only within a 10' walking distance from there!