KE529: Mathematic methods in Chemistry and Nanoscience (5 ECTS)
STADS: 10008301
Level
Bachelor course
Teaching period
The course is offered in the autumn semester.
Teacher responsible
Email: kongsted@sdu.dk
Additional teachers
hjj@sdu.dk
achim@imada.sdu.dk
Timetable
Group |
Type |
Day |
Time |
Classroom |
Weeks |
Comment |
Common |
I |
Monday |
12-14 |
U146 |
37-38 |
|
Common |
I |
Monday |
12-13 |
U146 |
39-41,43-45 |
|
Common |
I |
Tuesday |
10-11 |
U146 |
36 |
Lokalet er kun frit til kl. 10.45. |
H1 |
TE |
Tuesday |
12-14 |
U146 |
37,39-40,45 |
|
H1 |
TE |
Tuesday |
14-16 |
U24A |
38 |
|
H1 |
TE |
Tuesday |
14-16 |
U103 |
41 |
|
H1 |
TE |
Tuesday |
14-16 |
U10 |
43 |
|
H1 |
TE |
Tuesday |
10-12 |
U107 |
44 |
|
H1 |
TE |
Wednesday |
10-12 |
U145 |
36 |
|
H1 |
TL |
Wednesday |
14-16 |
White Lab |
44 |
|
H1 |
TE |
Thursday |
12-14 |
White Lab |
36 |
|
H1 |
TL |
Thursday |
08-10 |
White Lab |
36-40 |
|
H1 |
TE |
Thursday |
14-16 |
White Lab |
37-38 |
|
H1 |
TE |
Friday |
12-14 |
White Lab |
39 |
|
H1 |
TE |
Friday |
10-12 |
White Lab |
40 |
|
H1 |
TL |
Friday |
10-12 |
White Lab |
41,43 |
|
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Prerequisites:
None
Academic preconditions:
FF502 and FF503is presumed known.
Course introductionThe purpose of this course is to introduce mathematical notation and 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.
QualificationsThe course will enable the student to analyze problems in chemistry with a mathematical approach and to perform calculations on typical mathematical-chemical problems.
Expected learning outcomeAfter completing the course the student is expected to be able 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.
Subject overview
- Chemical analysis of relevant mathematical functions of one or more variables and their partial derivatives 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.
- Numerical methods (interpolation, numerical integration, minimization), as well as their use in the analysis of chemical problems.
Literature- Erich Steiner: The Chemistry Maths Book, Oxford University Press, 2. Udgave.
Website
This course uses
e-learn (blackboard).
Prerequisites for participating in the exam
None
Assessment and marking:
- Oral exam. Evaluated by the danish 7 mark scale by internal censorship (5 ECTS). The exam consists of a presentation of one of the subjects from the subject overview and a presentation of a miniproject.
Reexam in week 9. The mode of the reexamination can differ from the mode of the ordinary exam.
Expected working hours
The teaching method is based on three phase model.
Intro phase: 12 hours
Skills training phase: 46 hours, hereof:
- Tutorials: 46 hours
Educational activities
Language
This course is taught in Danish.
Course enrollment
See deadline of enrolment.
Tuition fees for single courses
See fees for single courses.