Molecular Modelling

6 EC

Semester 2, period 4

52541MOM6Y

Owner Master Chemistry (joint degree)
Coordinator prof. dr. Célia Fonseca Guerra
Part of Master Chemistry (joint degree), track Analytical Sciences, Master Chemistry (joint degree), track Molecular Sciences, Master Chemistry (joint degree), track Science for Energy and Sustainability, Master Chemistry (joint degree), track Chemistry of Life, year 1
Links Visible Learning Trajectories

Course manual 2025/2026

Course content

See course manual uploaded in CANVAS

Objectives

  • To learn the background of modern computational methods (HF and DFT).
  • Use DFT calculations to provide an understanding of various chemical problems related to molecular reactivity, sustainability, and catalysis.
  • Effectively run and process DFT calculations on a supercomputer.

Learning activities

Activity

Hours

Hoorcollege

10.75

Self study

157.25

Total

168

(6 EC x 28 uur)

Attendance

This programme does not have requirements concerning attendance (TER part B).

Assessment

Item and weight Details

Final grade

Fraud and plagiarism

The 'Regulations governing fraud and plagiarism for UvA students' applies to this course. This will be monitored carefully. Upon suspicion of fraud or plagiarism the Examinations Board of the programme will be informed. For the 'Regulations governing fraud and plagiarism for UvA students' see: www.student.uva.nl

Course structure

WeeknummerOnderwerpenStudiestof
1
2
3
4
5
6
7
8

Contact information

Coordinator

  • prof. dr. Célia Fonseca Guerra