Home page Site map Links Portals: For employees For students WebMail
Course code: 
Course name: 
Academic year: 
2021/2022. 
Attendance requirements: 

ECTS: 
7 
Study level: 
basic academic studies 
Study programme: 
Chemistry: 4. year, winter semester, compulsory course 
Teachers: 
Snežana D. Zarić, Ph.D. Miloš K. Milčić, Ph.D. 
Assistant: 
Dušan Ž. Veljković, Ph.D. 
Hours of instruction: 
Weekly: four hours of lectures + three hours of exercises (4+3+0) 
Goals: 
Computation chemistry has become a very important field of chemistry, and its importance is increasing further with the development of computers. Many problems which cannot be solved by experimental methods can be solved by using computers, while a large amount of information and many solutions are obtained more easily and cheaply by using computers. 
Outcome: 
Within this course students are expected to learn: various methods of molecular modeling, the basics of chemical informatics and which problems in chemistry can be solved by using informatics approach. 
Teaching methods: 
Lectures, theoretical/calculation exercises. 
Extracurricular activities: 
— 
Coursebooks: 

Additional material: 
— 
Course activities and grading method 

Lectures: 
0 points (4 hours a week) Syllabus:

Exercises: 
20 points (3 hours a week) Syllabus: Molecular mechanics, methodology of molecular mechanics, potential energy functions, optimization algorithms, geometry optimization of a larger number of molecules, conformational analysis of various molecules. Ab initio methods, application of programs which are based on ab initio methods. DFT methods and corresponding programs. Application of ab initio and DFT methods for solving problems in chemistry. Fundamentals of programming, algorithm, designing programs which are used to solve some problems in chemistry. Using chemical informatics methods. Using data banks. 
Colloquia: 
20 points 
Written exam: 
60 points 
Tue Nov 23 18:31:53 2021