Kocaeli University / European Credit Transfer System (ECTS)

Name of Lecturer(s)

Prof. Dr. Seda GÜNEŞDOĞDU SAĞDINÇ

Learning Outcomes of the Course Unit
Program Competencies-Learning Outcomes Relation

Learning Outcomes of the Course Unit

1) Useful concepts in molecular physics,
2) Mathematical methods used in molecular physics
3) Geometry optimization methods and the potential energy surfaces
4) Molecular Mechanics Methods
5) Quantum mechanical methods used in molecular physics
6) Semi-Empirical calculation methods
7) Semi-empirical calculation methods in molecular applications
8) Ab-initio methods
9) Ab-initio methods in molecular applications
10) Basis Sets
11) Density Functional Theory
12) Hybrid functionals
13) ntroduction to molecular dynamics
14) Packaged software is used to calculate the molecular parameters

Program Competencies-Learning Outcomes Relation

		Program Competencies
		1	2	3	4	5	6	7	8	9
Learning Outcomes
	1	High	High	Low	Low	Low	High	Middle	High	Middle
	2	High	High	Low	Low	Middle	High	High	High	Middle
	3	High	High	Low	Low	High	High	High	High	Middle
	4	High	High	Low	Low	High	High	High	High	Middle
	5	High	High	Low	Low	High	High	High	High	Middle
	6	High	High	Low	Low	High	High	High	High	Middle
	7	High	High	Low	Low	High	High	High	High	Middle
	8	High	High	Low	Low	High	High	High	High	Middle
	9	High	High	Low	Low	High	High	High	High	Middle
	10	High	High	Low	Low	High	High	High	High	Middle
	11	High	High	Low	Low	High	High	High	High	Middle
	12	High	High	Low	Low	High	High	High	High	Middle
	13	High	High	Low	Low	High	High	High	High	Middle
	14	High	High	Low	Low	High	High	High	High	Low

Mode of Delivery

Face to Face

Prerequisites and Co-Requisites

None

Recommended Optional Programme Components

1) Atom and Molecular physics 2) Quantum Physics 3) Moden Physics

Course Contents

Molecular Physics useful concepts, molecular physics used in the mathematical methods, geometry optimization methods and the potential energy surfaces of molecular mechanics methods, molecular physics used in the quantum mechanical methods, semi-empirical calculation methods, semi-empirical calculation methods in molecules practices, Ab-initio methods, Ab- initio density functional theory methods and applications of molecular methods, Combined functional, molecular dynamic entry, used to calculate molecular parameters of the package program.

Weekly Schedule

1) The useful concepts of Molecular Physics
2) The mathematical methods of the Molecular Physics
3) The geometry optimization methods and potential energy surfaces
4) The methods of the molecular mechanics
5) The quantum mechanical methods of the molecular physics
6) Semi-emprical calculations methods
7) The molecular applications of the semi-emprical methods
8) Midterm
9) Ab-initio methods
10) The molecular applications of ab-initio methods
11) Basis sets
12) The Density Functional Methods
13) The mixture functionals
14) The introduction of the molecular dynamics
15) The molecular packet programs using the molecular parametres calculations
16) Final Exam

Planned Learning Activities and Teaching Methods

1) Lecture
2) Discussion
3) Demonstration
4) Group Study
5) Problem Solving

Assessment Methods and Criteria

Contribution of Semester Studies to Course Grade

20%

		Number	Percentage
Semester Studies	Midterm Examination	1	30%
	Quiz	12	30%
	Other(s)	10	40%

Contribution of Final Examination to Course Grade

80%

Total

100%

Language of Instruction

Turkish

Work Placement(s)

Not Required

Course Unit Title	Course Unit Code	Type of Course Unit	Level of Course Unit	Year of Study	Semester	ECTS Credits
Theoretical Calculations In Molecular Physics	FIZ516	Elective	Master's degree	1	Spring	8