ECTS - Chemical Computations
Chemical Computations (MDES663) Course Detail
Course Name | Course Code | Season | Lecture Hours | Application Hours | Lab Hours | Credit | ECTS |
---|---|---|---|---|---|---|---|
Chemical Computations | MDES663 | 3 | 0 | 0 | 3 | 5 |
Pre-requisite Course(s) |
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N/A |
Course Language | English |
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Course Type | N/A |
Course Level | Natural & Applied Sciences Master's Degree |
Mode of Delivery | Face To Face |
Learning and Teaching Strategies | Lecture. |
Course Lecturer(s) |
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Course Objectives | The major objective is to provide an introduction to some of the techniques used in computational chemistry and molecular modeling, and to illustrate how these techniques can be used to study chemical, physical and biological phenomena. |
Course Learning Outcomes |
The students who succeeded in this course;
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Course Content | Coordinate systems; definition of theory, computation and modeling; units used in computational chemistry; potential energy surfaces; theoretical structures; mathematical concepts; hardware and software; foundations of molecular orbital theory; semiempirical implementations; density functional theory; ab initio implementations, thermodynamic proper |
Weekly Subjects and Releated Preparation Studies
Week | Subjects | Preparation |
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1 | Introduction | Chapter 1 |
2 | Useful Concepts in Computational Chemistry | Chapter 1-3 |
3 | Useful Concepts in Computational Chemistry | Chapter 1-3 |
4 | Useful Concepts in Computational Chemistry | Chapter 1-3 |
5 | Foundations of Molecular Orbital Theory | Chapter 4 |
6 | Foundations of Molecular Orbital Theory | Chapter 4 |
7 | Midterm | - |
8 | Molecular Mechanics | Chapter 5 |
9 | Molecular Mechanics | Chapter 5 |
10 | Semiempirical Implementations | Chapter 5 |
11 | Density Functional Theory Implementations | Chapter 8 |
12 | Density Functional Theory Implementations | Chapter 8 |
13 | Density Functional Theory Implementations | Chapter 8 |
14 | Ab initio Implementations | Chapter 6 |
15 | Ab initio Implementations | Chapter 6 |
16 | Final exam | - |
Sources
Course Book | 1. C.J. Cramer, Essentials of Computational Chemistry, John Wiley & Sons (2004) |
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Evaluation System
Requirements | Number | Percentage of Grade |
---|---|---|
Attendance/Participation | - | - |
Laboratory | - | - |
Application | - | - |
Field Work | - | - |
Special Course Internship | - | - |
Quizzes/Studio Critics | - | - |
Homework Assignments | 5 | 20 |
Presentation | 2 | 10 |
Project | 2 | 20 |
Report | - | - |
Seminar | - | - |
Midterms Exams/Midterms Jury | 1 | 20 |
Final Exam/Final Jury | 1 | 30 |
Toplam | 11 | 100 |
Percentage of Semester Work | 70 |
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Percentage of Final Work | 30 |
Total | 100 |
Course Category
Core Courses | X |
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Major Area Courses | |
Supportive Courses | |
Media and Managment Skills Courses | |
Transferable Skill Courses |
The Relation Between Course Learning Competencies and Program Qualifications
# | Program Qualifications / Competencies | Level of Contribution | ||||
---|---|---|---|---|---|---|
1 | 2 | 3 | 4 | 5 | ||
1 | Ability to expand and get in-depth information with scientific researches in the field of mechanical engineering, evaluate information, review and implement. | |||||
2 | Have comprehensive knowledge about current techniques and methods and their limitations in Mechanical engineering. | |||||
3 | To complete and apply knowledge by using scientific methods using uncertain, limited or incomplete data; use information from different disciplines. | |||||
4 | Being aware of the new and developing practices of Mechanical Engineering and being able to examine and learn when needed. | |||||
5 | Ability to define and formulate problems related to Mechanical Engineering and develop methods for solving and apply innovative methods in solutions. | |||||
6 | Ability to develop new and/or original ideas and methods; design complex systems or processes and develop innovative/alternative solutions in the designs. | |||||
7 | Ability to design and apply theoretical, experimental and modeling based researches; analyze and solve complex problems encountered in this process. | |||||
8 | Work effectively in disciplinary and multi-disciplinary teams, lead leadership in such teams and develop solution approaches in complex situations; work independently and take responsibility. | |||||
9 | To establish oral and written communication by using a foreign language at least at the level of European Language Portfolio B2 General Level. | |||||
10 | Ability to convey the process and results of their studies systematically and clearly in written and oral form in national and international environments. | |||||
11 | To know the social, environmental, health, security, law dimensions, project management and business life applications of engineering applications and to be aware of the constraints of their engineering applications. | |||||
12 | Ability to observe social, scientific and ethical values in the stages of data collection, interpretation and announcement and in all professional activities. |
ECTS/Workload Table
Activities | Number | Duration (Hours) | Total Workload |
---|---|---|---|
Course Hours (Including Exam Week: 16 x Total Hours) | 16 | 2 | 32 |
Laboratory | 16 | 2 | 32 |
Application | |||
Special Course Internship | |||
Field Work | |||
Study Hours Out of Class | 16 | 1 | 16 |
Presentation/Seminar Prepration | 2 | 5 | 10 |
Project | 2 | 8 | 16 |
Report | |||
Homework Assignments | 5 | 2 | 10 |
Quizzes/Studio Critics | |||
Prepration of Midterm Exams/Midterm Jury | 1 | 8 | 8 |
Prepration of Final Exams/Final Jury | 1 | 10 | 10 |
Total Workload | 134 |