Workshop: Advanced Crystal Structure Determination
Topics:
- Crystal structure refinement using different state-of-the-art software (Olex2, ShelXle)
- Data integration and correction using different state-of-the-art software (Apex6, Crysalis Pro, X-Area)
- Integration and refinement of twinned data
- New refinement methods beyond the independent atom model (IAM)
- Poster session: "Bring your problem structure"
Target group:
The workshop is aimed at graduate students, postdocs and scientists with an existing basic knowlegde on single-crystal XRD who are eager to learn more about state-of-the-art crystal structure data treatment and refinement.
Instructors:
A variety of instructors from universites as well as software experts for SC-XRD data reduction and correction and crystal structure refinement will present within background and software seminars and support within the hands-on sessions.
List of confirmed instructors: Michael Bodensteiner (Uni Regensburg), Regine Herbst-Irmer (GAU Göttingen), Christian Hübschle (ShelXle), Daniel Kratzert (DSR Tool), Anna Krawczuk (GAU Göttingen), Nils Nöthling (MPI Mülheim), Iris Oppel (RWTH Aachen), Alexander Pöthig (TUM)…
Poster session: "Bring your problem structure"
There will be two poster sessions that will allow participants and experts to exchange ideas. Participants should have a good understanding of the basics and experience with crystal structure refinement. They should also bring specific problem cases to present at their posters. Please note that the poster abstracts won’t be distributed or made available online. Therefore, please use the opportunity to discuss - also unpublished - problems with peers and experts in detail.
As a rough guide, the posters (and abstracts) could include the following questions/points:
- What is the scientific background of the crystal structure?
- What is the problem with the determination?
- Which software has been used? At which stage of the determination might there be a potential problem?
- What do I hope to achieve? How can I be helped?
Registration and further information:
Details on the registration modalities, fees, deadlines, poster abstract submission etc. will follow soon.
Already interested? You can sign up for the mailing list here to keep being informed in time.
We are excited to welcome you to the 2nd MCW at the Catalysis Research Center in Garching. To help you make the most of your visit, we have prepared a travel guide with transportation, accommodation, and dining suggestions.
Transportation:
By Plane: If you are arriving at Munich International Airport (MUC), you can reach Garching by taking the S1 train to Neufahrn and then transferring to bus 690, which stops at Garching-Forschungszentrum.
By Train: From Munich Central Station (Hauptbahnhof), take the U5 (towards Neuperlach-Süd) subway line to Odeonsplatz and change there to the U6 subway line towards Garching-Forschungszentrum (terminal station), where you also exit. The Catalysis Research Center is a 10-minute walk from the station.
By Car: Garching is located approximately 17 km north of Munich. From the A9 motorway, take exit 70-Garching-Nord and follow the signs to Garching-Forschungszentrum. Parking is available on-site at the Catalysis Research Center.
Accommodation:
Here is a list of potential hotels for your stay in Garching:
- Marriott Courtyard Garching Forschungszentrum
(Walther-von-Dyck Str. 12, 85748 Garching bei München, on campus) - Stellaris Hotel Garching Forschungszentrum
(Walther-von-Dyck Str. 16, 85748 Garching bei München, on campus) - Hotel König Ludwig
(Bürgerplatz 3, 85748 Garching bei München, 1 stop via subway from campus) - Hoyacker Hof
(Freisinger Landstraße 9A, 85748 Garching bei München, 1 stop via subway from campus) - Soulmade Garching
(Mühlfeldweg 46, 85748 Garching bei München, 1 stop via subway from campus) - Ibis Hotel Garching-Hochbrück
(Daimlerstraße 5, 85748 Garching bei München, 2 stops via subway from campus) - Motel One Hotel Garching-Hochbrück
(Daimlerstraße 5a, 85748 Garching bei München, 2 stops via subway from campus) - Dorint Hotel Garching-Hochbrück
(Parkring 51-53, 85748 Garching bei München, 2 stops via subway from campus)
These hotels offer a range of amenities and are conveniently located near the workshop venue. Please book your accommodation early to secure your preferred choice.
Venue: Catalysis Research Center @ TUM
Organizers:
