About
Computational Methods in Crystallography
Location: CECAM-HQ-EPFL, Lausanne, Switzerland
Organisers
This workshop gives a practical introduction into computational methods in the solid state, especially for materials science.
After a lecture about the background of such methods, two software packages will be introduced with 2.5-hour hands-on sessions each: Crystal 23 (www.crystal.unito.it) and CP2K (www.cp2k.org).
Participants will learn how to run their own calculations, how to extract physical and chemical properties from them and how to display or analyze the results. The workshop is designed for beginners, primarily Master students, PhD students and postdocs, but everybody who wants to learn how to practically apply quantum chemistry to the solid state is welcome to join.
The event is free of charge, but please add a few sentences about your motivation to attend when you register. Please also add your level of experience with periodic-boundary calculations in general, and the software packages CP2K and Crystal23 in particular. This will help us to tailor the contents of the workshop to the audience.
The workshop is a satellite event of the Annual Meeting of the Swiss Society for Crystallography (SSCr) and is both organized and financed by SSCr. Please join the Annual Meeting of SSCr on Sep 10th: url to come.
References
Michelle Ernst (Heidelberg Institute for Theoretical Studies) - Organiser & speaker
Janine George (BAM Berlin, University of Jena) - Organiser & speaker
Jan Wilhelm (University of Regensburg) - Organiser & speaker
Italy
Silvia Casassa (University of Turin) - Organiser & speaker
Chiara Ribaldone (University of Torino) - Organiser & speaker
Switzerland
Simon Grabowsky (University of Bern) - Organiser