KEMA2460 Molecular Modelling (4 cr)
Study level:
Intermediate studies
Grading scale:
Pass - fail
Language:
English, Finnish
Responsible organisation:
Department of Chemistry
Curriculum periods:
2024-2025, 2025-2026, 2026-2027, 2027-2028
Tweet text
The course is a non-mathematical introduction to the basic theories of molecular modelling and their most common applications.
Description
The course will discuss:
- molecular mechanics,
- molecular orbital theory,
- most common wave function-based methods,
- basics of density functional theory,
- basis sets,
- modelling molecular properties,
- solvent models.
Learning outcomes
A student who has successfully completed the course can:
- explain and use the key concepts and terms of molecular modelling discussed in the course,
- name the most commonly used molecular modelling methods and their typical applications,
- model simple molecules and their properties using the most common molecular modelling methods.
In addition to subject knowledge, the student practices, develops and/or strengthens general working life skills, such as:
- understanding of the importance of critical thinking in the natural sciences,
- language and communication skills,
- analysis and problem-solving skills,
- time management and directing one's own activities,
- self-knowledge and resilience.
Additional information
The course will be lectured in academic years 2024-2025 and 2026-2027. It is not possible to complete the course with an exam. Maximum number of students is limited.
Description of prerequisites
Basic studies in chemistry or similar knowledge.
Compulsory prerequisites
- Prerequisite group 1
Recommended prerequisites
- Prerequisite group 1
- Prerequisite group 2
OR
Study materials
Course books and other written material that may be distributed during the course.
Literature
- Christopher J. Cramer, Essentials of Computational Chemistry: Theories and Models, 2nd Edition, Wiley, 2013. ISBN: 978-1-118-71227-6
Completion methods
Method 1
Evaluation criteria:
Successful completion of the course requires participation in teaching (attendance required) as well as successful completion of independent practice work.
Time of teaching:
Period 4
Select all marked parts
Parts of the completion methods
x
Participation in teaching (4 cr)
Type:
Participation in teaching
Grading scale:
Pass - fail
Language:
English, Finnish
Study methods:
Lectures, exercises and final project.