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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

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