KM050 Advanced Algorithms in Chemistry

6 ECTS - 3-0 Duration (T+A)- . Semester- 3 National Credit

Information

Code KM050
Name Advanced Algorithms in Chemistry
Term 2024-2025 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

Update Time: 10.05.2024 12:54