KE529: Mathematic methods in Chemistry and Nanoscience
Entry requirements
Academic preconditions
Students taking the course are expected to:
- Have knowledge of chemistry and mathematics at the level of 1st year
- Be able to use chemistry and mathematics at the level of 1st year
Course introduction
mathematical methods for analysis of chemical problems. Emphasis will be
on practical / computing aspects of the mathematical methods introduced
in the course. The course also provides an introduction to the use of
Maple for the analysis of more mathematically complex chemical problems.
The
course builds on the knowledge acquired in the courses on 1st year in
chemistry and mathematics, and gives an academic basis for studying many
topics as for example quantum chemistry, spectroscopy and physical
chemistry that are part of the degree.
In relation to the
competence profile of the degree it is the explicit focus of the course
to enable the student to analyze problems in chemistry with a
mathematical approach and to perform calculations on typical
mathematical-chemical problems.
Expected learning outcome
The learning objectives of the course are that the student demonstrates the ability to:
- Describe
typical mathematical problems in chemistry using mathematics and
possess an overview of the basic concepts of the mathematical methods
used in chemistry. - Formulate and reformulate typical mathematical models in chemistry for the description and analysis of chemical problems.
- Choose a computational approach and perform basic practical alculations related to mathematical-chemical problems.
Content
The following main topics are contained in the course:
- Chemical
analysis of relevant mathematical func-tions of one or more variables
and their partial de-rivatives and total differentials. - Integration of chemically relevant functions with applications in particular to thermodynamics and quantum chemistry.
- Sequences and series with special focus on the use of application of Taylor series in chemistry.
- Introduction to complex functions.
- Differential
equations with applications to chemical problems such as chemical
reaction kinetics, the harmonic oscillator and particle in a box. - Linear
algebra (vectors, matrices, solution linear systems of equations,
determinants, eigenvalues and eigenvectors) and its application in
chemistry and especially quantum chemistry, spectroscopy and symmetry.
Literature
See itslearning for syllabus lists and additional literature references.
Examination regulations
Exam element a)
Timing
Prerequisites
| Type | Prerequisite name | Prerequisite course |
|---|---|---|
| Prerequisite not found |
Tests
Oral exam
EKA
Assessment
Grading
Identification
Language
Examination aids
To be announced during the course
ECTS value
Additional information
The exam consists of a presentation of one of the subjects from the subject overview and a presentation of a miniproject.
The examination form for re-examination may be different from the exam form at the regular exam.
Prerequisites for participating in the exam element a)
Timing
Tests
Assignments (3 sets)
EKA
Assessment
Grading
Identification
Language
Examination aids
To be announced during the course
ECTS value
Additional information
The prerequisite examination is a prerequisite for participation in exam element a)
Indicative number of lessons
Teaching Method
- Work with the material from the book
- Problem solving
- Mini project
- Video presentation of textbook material