Name: Hands-on Course on Density-Functional Calculations - International CP-PAW Autumn School
Start: 2023-08-28T08:30:00+02:00
End: 2023-09-08T18:00:00+02:00
Location: No location set

Hands-on Course on Density-Functional Calculations - International CP-PAW Autumn School

from Monday, August 28, 2023 (8:30 AM) to Friday, September 8, 2023 (6:00 PM)

Monday, August 28, 2023

8:30 AM

8:30 AM - 9:00 AM

9:00 AM Density Functional Theory I
Density Functional Theory I
9:00 AM - 10:30 AM

10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM

11:00 AM Patterns of Bonding
Patterns of Bonding
11:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Optimization and Electronic Structure of the Water Molecule
Optimization and Electronic Structure of the Water Molecule
2:00 PM - 6:00 PM
Tuesday, August 29, 2023

9:00 AM Density Functional Theory II
Density Functional Theory II
9:00 AM - 10:30 AM

10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM

11:00 AM Hybrid Orbitals and Frontier Orbitals
Hybrid Orbitals and Frontier Orbitals
11:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Optimization and Electronic Structure of Malonaldehyde
Optimization and Electronic Structure of Malonaldehyde
2:00 PM - 6:00 PM
Wednesday, August 30, 2023

9:00 AM Ab-initio Molecular Dynamics
Ab-initio Molecular Dynamics
9:00 AM - 10:30 AM

10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM

11:00 AM From Bonds to Bands
From Bonds to Bands
11:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Ab-initio Molecular Dynamics of Malonaldehyde
Ab-initio Molecular Dynamics of Malonaldehyde
2:00 PM - 6:00 PM
Thursday, August 31, 2023

9:00 AM Projector Augmented Wave Method
Projector Augmented Wave Method
9:00 AM - 10:30 AM

10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM

11:00 AM The Use of Symmetry
The Use of Symmetry
11:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Solids and Band Structures
Solids and Band Structures
2:00 PM - 6:00 PM
Friday, September 1, 2023

9:00 AM Plane Waves, k-Points and Supercells
Plane Waves, k-Points and Supercells
9:00 AM - 10:30 AM

10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM

11:00 AM Patterns of Atomic Structure
Patterns of Atomic Structure
11:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Judging the Quality
Judging the Quality
2:00 PM - 6:00 PM
Saturday, September 2, 2023
Sunday, September 3, 2023

Monday, September 4, 2023

9:00 AM Reactive Processes and Transition-State Theory
Reactive Processes and Transition-State Theory
9:00 AM - 10:30 AM

10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM

11:00 AM Ab-initio Thermodynamics
Ab-initio Thermodynamics
11:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Self-chosen Project
Self-chosen Project
2:00 PM - 6:00 PM
Tuesday, September 5, 2023

9:00 AM Self-chosen Project
Self-chosen Project
9:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Self-chosen Project
Self-chosen Project
2:00 PM - 6:00 PM
Wednesday, September 6, 2023

9:00 AM Self-chosen Project
Self-chosen Project
9:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Preparation of Presentation
Preparation of Presentation
2:00 PM - 6:00 PM
Thursday, September 7, 2023

9:00 AM Preparation of Presentation
Preparation of Presentation
9:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Presentation of Projects
Presentation of Projects
2:00 PM - 3:30 PM

3:30 PM Coffee Break
Coffee Break
3:30 PM - 4:00 PM

4:00 PM Presentation of Projects
Presentation of Projects
4:00 PM - 5:30 PM
Friday, September 8, 2023

9:00 AM Presentation of Projects
Presentation of Projects
9:00 AM - 10:30 AM

10:30 AM Coffee Break
Coffee Break
10:30 AM - 11:00 AM

11:00 AM Presentation of Projects
Presentation of Projects
11:00 AM - 12:30 PM

12:30 PM Lunch Break
Lunch Break
12:30 PM - 2:00 PM

2:00 PM Presentation of Projects
Presentation of Projects
2:00 PM - 3:30 PM