| Semester | Course Unit Code | Course Unit Title | T+P+L | Credit | Number of ECTS Credits | Last Updated Date |
| 4 | AMN544 | ADVANCED COMPUTATIONAL CHEMISTRY | 3+0+0 | 3 | 7,5 | 14.05.2025 |
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Language of Instruction
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English
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Level of Course Unit
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Master's Degree
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Department / Program
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ADVANCED MATERIALS AND NANOTECHNOLOGY
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Type of Program
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Formal Education
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Type of Course Unit
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Elective
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Course Delivery Method
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Face To Face
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Objectives of the Course
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The aim of this course is to introduce the background of quantum chemistry and computational chemistry, provide practical knowledge on computational chemistry software through projects and illustrations, and explore the applications of computational chemistry tools for predicting material properties.
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Course Content
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This course covers the background for a critical analysis of computational chemistry methodologies and their applications in chemistry or other related fields. The course is aimed to be both theory and project-based, and therefore students will be given the chance to pursue projects related to their own research if possible. Students will learn the basic theory and software behind computational chemistry methods, and they will also learn the advantages and disadvantages of these methods and how to use them to solve problems of interest in chemistry and molecular sciences.
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Course Methods and Techniques
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Prerequisites and co-requisities
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None
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Course Coordinator
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Prof.Dr. Evren Mutlugün
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Name of Lecturers
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Prof.Dr. EVREN MUTLUGÜN
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Assistants
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None
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Work Placement(s)
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No
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Recommended or Required Reading
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Resources
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Course Notes
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Ders kaynakları paylaşılacaktır.
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Course Category
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Engineering
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%50
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Science
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%50
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Planned Learning Activities and Teaching Methods
Activities are given in detail in the section of "Assessment Methods and Criteria" and "Workload Calculation"
Assessment Methods and Criteria
ECTS Allocated Based on Student Workload
Course Learning Outcomes: Upon the successful completion of this course, students will be able to:
| No | Learning Outcomes |
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1
| Use the basic theory behind the quantum chemistry and computational chemistry. |
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2
| Establish the working principles of computational chemistry tools |
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3
| Apply the practical aspects of computational chemistry using different softwares |
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4
| Perform Hartree-Fock Theory, Density Functional Theory and correlation methods on chemical problems. |
Weekly Detailed Course Contents
Contribution of Learning Outcomes to Programme Outcomes
Contribution: 1: Very Slight 2:Slight 3:Moderate 4:Significant 5:Very Significant
https://sis.agu.edu.tr/oibs/bologna/progCourseDetails.aspx?curCourse=77246&lang=en