GAZI UNIVERSITY INFORMATION PACKAGE - 2019 ACADEMIC YEAR

COURSE DESCRIPTION
MOLECULAR MODELLİNG/5731302
Course Title: MOLECULAR MODELLİNG
Credits 3 ECTS 7.5
Semester 1 Compulsory/Elective Elective
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
NO
PROGRAM LEARNING OUTCOMES
1
2
3
4
5
1Develop, enhance and deepen and obtain creative original definitions by combining current knowledge of the field and critical thinking and researchX
2comprehend interdisciplinary interactions and relations relevant to physics; analyze, compose, synthesize and evaluate new and complex ideas and to obtain original results by using expertise knowledge of the field,X
3obtain new scientific knowledge and gain higher level of skills in field of searchX
4develop a new scientific method in the field or apply a known method to a different problemX
5research, understand, design, adopt and apply an original subjectX
6question, compose, synthesize and evaluate new and complex ideasX
7publishtheir original works in refereed journals
8develop original ideas and methods in the field and also in interdisciplinary fields by using higher level skills such as creative and critical thinking, problem solving and judgmentsX
9present their works and original ideas effectively in a scientific environmentX
10communicate anddiscuss in advance level of writing, oral and visual in at least one foreign language
11introduce technological developmentsin anacademic and professional manner and contribute to theprogress of it societyX