Who: The course is aimed at graduate students (MSc and PhD) and undergraduate students that successfully passed introduction to quantum chemistry course, and faculty and other research staff.

 

Requirements: It is good that participants have a laptop with installed visualization software packages including Gaussian and GaussView.

 

* Participants who familiar with basic Gaussian and GaussView may skip first day.

 

Tuesday 8 Dec
Wednesday 9 Dec
Thursday 10 Dec
Friday 11 Dec 2020
9:00 – 10:00
Intro. Gaussian
9:00 – 10:00
Question and answer
9:00 – 10:00
Question and answer
9:00 – 10:00
Question and answer
10:30 – 11:30
Intro. Gauss View
10:30 – 11:30
Hartree-Fock
10:30 – 11:30
Correlated methods
10:30 – 11:30
Density Functional Theory
12:00 – 13:00
Hands-on-Gaussian
12:00 – 13:00
Correlated methods
12:00 – 13:00
MCSCF and excited states
12:00 – 13:00
Basis set
13:00 – 14:00
Break
13:00 – 14:00
Break
13:00 – 14:00
Break
13:00 – 14:00
Break
14:00 – 15:00
Hands-on-Gaussian
14:00 – 15:00
Theoretical exercise
14:00 – 15:00
Theoretical exercise
14:00 – 15:00
Wave function analysis
15:00 – 16:00
Hands-on-Material
15:00 – 16:00
Computer exercise
15:00 – 16:00
Computer exercise
15:00 – 16:00
Theoretical exercise
16:30 – 17:30
Hands-on-Material
16:30 – 17:30
Question and answer
16:30 – 17:30
Question and answer
16:30 – 17:30
Break
Sunday 13 Dec 2020
Monday 14 Dec 2020
Tuesday 15 Dec 2020
Wednesday 16 Dec 2020
9:00 – 10:00
 
9:00 – 10:00
Question and answer
9:00 – 10:00
Theoretical exercise
9:00 – 10:00
 
10:30 – 11:30
 
10:30 – 11:30
Relativistic methods
10:30 – 11:30
Optimization
10:30 – 11:30
Theoretical exercise
12:00 – 13:00
Theoretical exercise
12:00 – 13:00
Molecular properties
12:00 – 13:00
Qualitative models
12:00 – 13:00
Computer exercise
13:00 – 14:00
Break
13:00 – 14:00
Break
13:00 – 14:00
Break
13:00 – 14:00
Break
14:00 – 15:00
Computer exercise
14:00 – 15:00
Computer exercise
14:00 – 15:00
Computer exercise
14:00 – 15:00
Computer exercise
15:00 – 16:00
Computer exercise
15:00 – 16:00
Computer exercise
15:00 – 16:00
Computer exercise
15:00 – 16:00
Computer exercise
16:30 – 17:00
Question and answer
16:30 – 17:00
Question and answer
16:30 – 17:00
Question and answer
16:30 – 17:00
Closing