GAZI UNIVERSITY INFORMATION PACKAGE - 2019 ACADEMIC YEAR

COURSE DESCRIPTION

MOLECULAR MODELLİNG/5731302

COURSE INFO

-- LANGUAGE OF INSTRUCTION

Turkish

-- NAME OF LECTURER(S)

Assoc. Prof. Dr. Mehmet BAHAT

-- WEB SITE(S) OF LECTURER(S)

-- EMAIL(S) OF LECTURER(S)

bahat@gazi.edu.tr

-- LEARNING OUTCOMES OF THE COURSE UNIT

learning basic principles of molecular modeling

-- MODE OF DELIVERY

The mode of delivery of this course is face to face

-- PREREQUISITES AND CO-REQUISITES

There is no prerequisite or co-requisite for this course.

-- RECOMMENDED OPTIONAL PROGRAMME COMPONENTS

There is no recommended optional programme component for this course.

--COURSE CONTENT
1. Week	Basic Concepts of Molecular Modelling
2. Week	Molecular Mechanic Methods-I
3. Week	Molecular Mechanic Methods-II
4. Week	Molecular Mechanic Methods-III
5. Week	Basıc Principles of Electronic Structure Theory
6. Week	Hartree-Fock Theory-I
7. Week	Hartree-Fock Theory-I
8. Week	Basis Sets
9. Week	Midterm Exam
10. Week	Geometry Optimization
11. Week	Density Functional Theory - I
12. Week	Density Functional Theory - II
13. Week	Semi Emprical Methods
14. Week	Physical Properties of Molecules
15. Week	Conclusions
16. Week	-

-- RECOMMENDED OR REQUIRED READING

1)A.R. Leach, Molecular Modelling: Principles and Applications 2)F. Jensen, Int. to Computational Chemistry

-- PLANNED LEARNING ACTIVITIES AND TEACHING METHODS

Lecture, Question-Answer, Demonstration,Practise

-- WORK PLACEMENT(S)

Not Applicable

-- ASSESSMENT METHODS AND CRITERIA

	Quantity	Percentage
Mid-terms	1	40
Assignment	0	0
Exercises	2	20
Projects	0	0
Practice	0	0
Quiz	0	0
Contribution of In-term Studies to Overall Grade		40
Contribution of Final Examination to Overall Grade		60

-- WORKLOAD

Efficiency	Total Week Count	Weekly Duration (in hour)	Total Workload in Semester
Theoretical Study Hours of Course Per Week	15	3	45
Practising Hours of Course Per Week	3	3	9
Reading	3	3	9
Searching in Internet and Library	5	5	25
Designing and Applying Materials	6	6	36
Preparing Reports	7	7	49
Preparing Presentation	2	4	8
Presentation			0
Mid-Term and Studying for Mid-Term	1	1	1
Final and Studying for Final	1	1	1
Other			0
TOTAL WORKLOAD:			183
TOTAL WORKLOAD / 25:			7.32
ECTS:			7.5

-- COURSE'S CONTRIBUTION TO PROGRAM

Gazi University