- https://www.albasynchrotron.es/en/media/events/alba-public-events/wien2k-turbomole-workshop
- WIEN2k & Turbomole Workshop
- 2015-11-16T09:00:00+01:00
- 2015-11-20T18:00:00+01:00
- What
- events
- When
- Nov 16, 2015 09:00 AM to Nov 20, 2015 06:00 PM (Europe/Madrid / UTC100)
- Where
- ALBA Synchrotron
- Contact Name
- Dr. Eric Pellegrin
- Web
- Visit external website
- Add event to calendar
-
iCal
The program package WIEN2k allows performing electronic structure calculations of solids using density functional theory (DFT), the model which provides extremely useful and precise information concerning the electronic structure of ordered crystal structures and surfaces, including hypothetical/artificial structures which can be also considered.
Turbomole is an efficient software package for large-scale quantum chemical simulations of molecules, clusters, and – since the version 7.0 - periodic solids.
The workshop is planned as a three and a half day activity for WIEN2k and one and a half day activity for Turbomole, both with lectures on the scientific aspects of the method, applications, hand-on activities on selected examples.
