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Information
| Code | KM050 |
| Name | Advanced Algorithms in Chemistry |
| Term | 2023-2024 Academic Year |
| Semester | . Semester |
| Duration (T+A) | 3-0 (T-A) (17 Week) |
| ECTS | 6 ECTS |
| National Credit | 3 National Credit |
| Teaching Language | Türkçe |
| Level | Yüksek Lisans Dersi |
| Type | Normal |
| Mode of study | Yüz Yüze Öğretim |
| Catalog Information Coordinator |
Course Goal / Objective
The aim of this course is to comprehend advanced algorithms in chemistry.
Course Content
Numerical methods, solutions of simultaneous equations, matrix operations, Newton Paphson, Runge Kutta and Euler methods, linear and nonlinear least square methods and thermal energy storage systems simulations.
Course Precondition
None
Resources
Lecture Notes
Notes
Yates P., Chemical Calculations Mathematics for Chemistry, 2007, ISBN:9780849391644
Course Learning Outcomes
| Order | Course Learning Outcomes |
|---|---|
| LO01 | Comprehends to develop algorithms for selected problems in Chemistry |
| LO02 | Analyses solutions of simultaneous equations and matris operations. |
| LO03 | Comprehends applying Newton Raphson, Runge Kutta, and Euler methods to chemical problems. |
| LO04 | Understands regression analysis with least squares method. |
Relation with Program Learning Outcome
| Order | Type | Program Learning Outcomes | Level |
|---|---|---|---|
| PLO01 | Bilgi - Kuramsal, Olgusal | Reaches, evaluates and interprets information by doing research in the field of chemistry. | |
| PLO02 | Bilgi - Kuramsal, Olgusal | S/he has extensive knowledge of the techniques and methods applied in the field of chemistry. | 4 |
| PLO03 | Bilgi - Kuramsal, Olgusal | Becomes aware of new and developing applications in the field, gains the competence to examine, learn and apply. | 4 |
| PLO04 | Bilgi - Kuramsal, Olgusal | Designs institutional modeling and empirical research and solves the problems encountered. | 4 |
| PLO05 | Bilgi - Kuramsal, Olgusal | Follows scientific developments in her/his field. | |
| PLO06 | Bilgi - Kuramsal, Olgusal | Plans and maintains a scientific study. | |
| PLO07 | Bilgi - Kuramsal, Olgusal | Gains the ability to adapt to new situations and solve problems. | 5 |
| PLO08 | Bilgi - Kuramsal, Olgusal | Reaches new technology in the field. | 4 |
| PLO09 | Bilgi - Kuramsal, Olgusal | Gains the ability to work independently and in teams and to take responsibility in the field. | |
| PLO10 | Beceriler - Bilişsel, Uygulamalı | Follows the directions in the field, gains the ability to solve complex situations. | 5 |
| PLO11 | Yetkinlikler - Bağımsız Çalışabilme ve Sorumluluk Alabilme Yetkinliği | Presents the results of their studies in written and oral form. Approaches environmental problems scientifically. | |
| PLO12 | Yetkinlikler - Bağımsız Çalışabilme ve Sorumluluk Alabilme Yetkinliği | It observes scientific and ethical values in the stages of data collection, interpretation and announcement. | |
| PLO13 | Yetkinlikler - Öğrenme Yetkinliği | It produces solutions by making scientific approaches to the problems related to living spaces and conditions, and raises awareness by informing the environment. | 3 |
Week Plan
| Week | Topic | Preparation | Methods |
|---|---|---|---|
| 1 | Principles on developing algorithms | Related book chapter and internet | Öğretim Yöntemleri: Anlatım |
| 2 | Developing algorithms for solution of simultaneous equations | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 3 | Applying algorithms for solution of simultaneous equations to solving problems in Chemistry | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 4 | Developing algorithms for matrix operations | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 5 | Applying algorithms for matris operations to solving problems in Chemistry | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 6 | Developing algorithms for Newton Raphson method | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 7 | Applying algorithms for Newton Raphson method to solving problems in Chemistry | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 8 | Mid-Term Exam | Book and internet | Ölçme Yöntemleri: Yazılı Sınav |
| 9 | Developing algorithms for Runge Kutta ve Euler methods | Related book chapter and internet | Öğretim Yöntemleri: Anlatım |
| 10 | Applying algorithms for Runge Kutta and Euler methods to solving problems in Chemistry | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 11 | Developing algorithms for linear least squares method | Related book chapter and internet | Öğretim Yöntemleri: Anlatım |
| 12 | Applying algorithms for linear least squares method to solving problems in Chemistry | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 13 | Developing algorithms for nonlinear least squares method | Related book chapter and internet | Öğretim Yöntemleri: Anlatım |
| 14 | Applying algorithms for nonlinear least squares method to solving problems in Chemistry | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 15 | Examples on applications in Chemistry where different algorithms are used together | Related book chapter and internet | Öğretim Yöntemleri: Alıştırma ve Uygulama |
| 16 | Term Exams | Book and internet | Ölçme Yöntemleri: Yazılı Sınav |
| 17 | Term Exams | Book and internet | Ölçme Yöntemleri: Yazılı Sınav |
Student Workload - ECTS
| Works | Number | Time (Hour) | Workload (Hour) |
|---|---|---|---|
| Course Related Works | |||
| Class Time (Exam weeks are excluded) | 14 | 3 | 42 |
| Out of Class Study (Preliminary Work, Practice) | 14 | 5 | 70 |
| Assesment Related Works | |||
| Homeworks, Projects, Others | 0 | 0 | 0 |
| Mid-term Exams (Written, Oral, etc.) | 1 | 15 | 15 |
| Final Exam | 1 | 30 | 30 |
| Total Workload (Hour) | 157 | ||
| Total Workload / 25 (h) | 6,28 | ||
| ECTS | 6 ECTS | ||