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DISCUS – Workshop Program

Tentative Program

Please find the tentative program for the workshop below. Lecturers are
  • Prof. Dr. Reinhard Neder, University of Erlangen

 

Monday, July 16, 2018
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, July 17, 2018
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, July 18, 2018
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, July 19, 2018
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, July 10, 2018
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