KE531: Project in computational chemistry (5 ECTS)

STADS: 10010101

Level
Bachelor course

Teaching period
The course is offered in the autumn semester.

Teacher responsible
Email: hjj@sdu.dk

Additional teachers
kongsted@sdu.dk

Timetable
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Prerequisites:
None

Academic preconditions:
The content of KE522 must be known.

Course introduction
The purpose of this course is that the student learns how to formulate and solve a research oriented scientific problem (with support of a supervisor) within the field of computational chemistry. When solving this specific problem the student should make use of modern computational methods within the field of chemistry.

Expected learning outcome
The student will gain insight into how a scientific process is formulated and analyzed using methods in computational chemistry. Depending on the specific content of the project, the students will be able to:

• Define and analyze a scientific problem within computational chemistry.
• Select the most optimal method of calculation for a given specific chemical problem.
• Perform critical analysis of data and choose the most suitable method for data analysis. 
• Obtain knowledge of different methods in computational chemistry and assess their accuracy.
• Potentially undertake implementation of basic numerical methods in applied mathematics for the solution of chemical problems.

Subject overview
Introduction to modern computational methods in chemistry including electronic structure theory, basic programming and scripting.

Literature
There isn't any litterature for the course at the moment.

Website
This course uses e-learn (blackboard).

Prerequisites for participating in the exam
None

Assessment and marking:
Project. Evaluated by internal censorship by the Danish 7-mark scale (5 ECTS).

Expected working hours
The teaching method is based on three phase model.
Intro phase: 10 hours
Skills training phase: 15 hours, hereof:
 - Laboratory exercises: 15 hours

Educational activities

Language
This course is taught in English, if international students participate. Otherwise the course is taught in Danish.

Course enrollment
See deadline of enrolment.

Tuition fees for single courses
See fees for single courses.