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 bring a laptop with installed visualization software packages.

 

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

 

20 Jan 2020

 Presenter: Dr. Azami & Dr. Jamshidi

11:00 – 12:30

Introduction to Gaussian

12:30 – 14:00

Registration

14:00 – 15:00

Gauss View Lab

15:00 – 15:30

Break

15:30 – 16:30

Gaussian Lab

16:30 – 17:30

Gaussian Lab

 

21 Jan 2020

Presenter: Prof. Jensen

9:00 – 9:45

Hartree-Fock

10:00 – 10:45

Correlated methods

11:00 – 11:30

Break

11:30 – 12:15

Correlated methods

12:30 – 14:00

Lunch

14:00 – 15:00

HF theoretical exercise

15:00 – 15:30

Break

15:30 – 16:30

CI theoretical exercise

16:30 – 17:30

CI theoretical exercise

 

22 Jan 2020

Presenter:  Prof. Jensen 

9:00 – 9:45

Density Functional Theory

10:00 – 10:45

Basis set

11:00 – 11:30

Break

11:30 – 12:15

Wave function analysis

12:30 – 14:00

Lunch

14:00 – 15:00

DFT theoretical exercise

15:00 – 15:30

Break

15:30 – 16:30

DFT theoretical exercise

16:30 – 17:30

Practical exercise

 

23 Jan 2020

Presenter: Frank Jensen

9:00 – 9:45

MCSCF and excited states

10:00 – 10:45

Molecular properties

11:00 – 11:30

Break

11:30 – 12:15

Relativistic methods

12:30 – 14:00

Lunch

14:00 – 15:00

Optimization methods

15:00 – 15:30

Break

15:30 – 16:30

Practical exercise

16:30 – 17:30

Practical exercise

 

24 Jan 2020

Presenter: Frank Jensen

9:00 – 9:45

Optimization methods

10:00 – 10:45

Qualitative models

11:00 – 11:30

Break

11:30 – 12:15

Statistical mechanics

12:30 – 14:00

Lunch

14:00 – 15:00

Practical exercise

15:00 – 15:30

Break

15:30 – 16:30

Practical exercise

16:30 – 17:30

Practical exercise