Frontiers of Multi-scale Modeling in Materials, Energy & Catalysis
Venue: Castello Oldofredi, Monte Isola, Italy
Start: 16:00 pm, Sunday 5th June 2016
End: 11:00 am, Thursday 9th June 2016
Organizers & Contact: Vanessa Bukas, Georg Michelitsch, 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.
For this purpose, the island of Monte Isola on lake d'Iseo (Italy) offers a truly idyllic setting within one of Italy’s most charming and unspoilt locations. Among the old olive trees, the historic Castello Oldofredi overlooks the fishermen village of Peschiera Maraglio and offers a magnificent view of the lake: A perfect secluded and stimulating environment for deep discussions and fruitful scientific exchange...
Topics
- Dynamics at Surfaces
- Catalysis from first-principles
- Charge Transfer in Organic Solar Cells
- Multiscale Modelling Methodology (embedding & implicit solvation)
- Functional 2D materials & Surface Spectroscopy
- Battery materials & Technology
- Molecular Simulations of Complex Interfaces
Confirmed Invited Speakers:
A. C. Luntz, Stanford University (USA)
M. Probert, University of York (UK)
M. Maestri, Politecnico di Milano (Italy)
J. Blumberger, University College London (UK)
Participation & Registration
During our time at Monte Isola, we aim at creating a lively forum for scientific exchange & discussions with active participation from all!
All participants will therefore be asked to submit a short abstract upon registration & contribute with an oral presentation of 20' (15' talk; 5' discussion) during the meeting.
Registration is now closed.
Registration fee: 285 EUR
The registration fee covers accommodation at Castello Oldofredi in 5-people shared apartments and includes both breakfast at the hotel and selected dinners at local restaurants on Monte Isola!
Additionally, all registered participants are welcome to use our provided bus service in traveling between Munich and Castello Oldofredi on the selected dates and times. For a seat on the bus, please contact Georg Michelitsch.
To inquire after a place in our workshop, please contact one of the organizers (Vanessa Bukas, Georg Michelitsch)!
Travelling to Castello Oldofredi
Monte Isola is an island on Lake d'Iseo and can only be reached via ferry from the mainland. Castello Oldofredi is situated in the village of Peschiera Maraglio which is only a few minutes with the ferry from Sulzano, reachable by both bus and train connections. Ferry timetables and fares may be found here.
Getting there by the arranged workshop bus:
In getting to Castello Oldofredi & back, all workshop participants are welcome to use our arranged bus service:
The bus will depart for Sulzano in the morning of Sunday 5th June from the main entrance of the TU München chemistry building at Garching Forschungszentrum, Lichtenbergstraße 4, D-85747, Garching bei München.
The return bus will depart from Sulzano towards Garching Forschungszentrum on Thursday 9th June around lunchtime (estimated journey duration ca. 6 hours, depending on traffic).
Exact times to be announced shortly.
If you would like to reserve a seat on our bus or have any questions, please contact Georg Michelitsch.