DISCUS – Workshop Program
Tentative Program
Please find the tentative program for the workshop below.
Lecturers are
Prof. Dr. Reinhard Neder, University of Erlangen
Dr. Thomas Proffen, ORNL, USA
| Monday, March 30, 2020 | |
|---|---|
| 13:00 | Lecture: Introduction to Defects in Crystals |
| 15:00 | Coffee break |
| 15:30 | Introduction to the DISCUS Program Suite |
| 16:30 | Coffee break |
| 17:00 | Simulation I: Introduction to the Simulation of Crystal Structures |
| 18:30 | End |
| Tuesday, March 31, 2020 | |
|---|---|
| 09:00 | Lecture: Total Scattering, Lecture Hall F |
| 10:45 | Coffee break |
| 11:00 | Simulation II: Calculation of Diffraction by Simulated Crystals |
| 12:30 | Lunch |
| 14:00 | Simulation III: Calculation of the Pair Distribution Function |
| 15:30 | Coffee break |
| 16:00 | Simulation IV: Defects: Short range order |
| 18:00 | End |
| Wednesday, April 1, 2020 | |
|---|---|
| 09:00 | Simulation V: Defects: Stacking faults |
| 10:15 | Coffee break |
| 10:30 | Simulation VI: Domains |
| 12:30 | Lunch |
| 14:00 | Lecture: Simulation and refinement strategies |
| 14:45 | Simulation VII: Refinement of Disordered Structures |
| 15:30 | Coffee break |
| 16:00 | Simulation VIII: 3d PDF |
| 18:00 | Dinner |
| Thursday, April 2, 2020 | |
|---|---|
| 09:00 | Simulation IX: Nanoparticles, a detailed example |
| 10:15 | Coffee break |
| 10:30 | Simulation X: Nanoparticles, complex particles, core/shell |
| 12:30 | Lunch |
| 14:00 | Simulation XI: Nanoparticles, complex particles, ligands |
| 10:15 | Coffee break |
| 16:00 | Simulation XII: Nanoparticles, refinement |
| 18:00 | End |
| Friday, April 3, 2020 | |
|---|---|
| 09:00 | Simulation XIII: Introduction to parallel computing |
| 10:15 | Coffee break |
| 10:30 | Simulation XIV: Nanoparticles, refinement with parallel computing |
| 12:30 | End of workshop |