- https://www.cells.es/ca/actualitat/agenda/esdeveniments-publics-dalba/wien2k-turbomole-workshop
- WIEN2k & Turbomole Workshop
- 2015-11-16T09:00:00+01:00
- 2015-11-20T18:00:00+01:00
- Què
- events
- Quan
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Nov 16, 2015 a 09:00 a
Nov 20, 2015 a 18:00 (Europe/Madrid / UTC100) - On
- Sincrotró ALBA
- Nom de contacte
- Dr. Eric Pellegrin
- URL de l'esdeveniment
- Lloc web relacionat
- Afegeix un esdeveniment al calendari
-
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.
