CHEM438-22S1 (C) Semester One 2022

Molecular Dynamics

15 points

Start Date: Monday, 21 February 2022
End Date: Sunday, 26 June 2022
Withdrawal Dates
Last Day to withdraw from this course:
  • Without financial penalty (full fee refund): Sunday, 6 March 2022
  • Without academic penalty (including no fee refund): Sunday, 15 May 2022


This course is about modelling the behaviour of macromolecular systems (e.g. biomacromolecules such as proteins or supramolecular assemblies such as metal-organic-framework materials), using molecular dynamics. The topics covered by this course are: - Force fields (molecular mechanics) and equations of motion (molecular dynamics) - Controlling temperature, pressure, volume within simulations - Practical considerations when running molecular dynamics simulations - Assessing how well simulations match experiment


Approval by the Tumuaki Kura | Head of School


Equivalent Courses

Course Coordinator

Deborah Crittenden


Assessment Due Date Percentage  Description
Numerical exercise + written technical report 40% Numerical exercise + written technical report
Summary Sheet + Oral Presentation 30% Summary Sheet + Oral Presentation
Literature Review 30% Literature Review

Indicative Fees

Domestic fee $1,084.00

International fee $5,000.00

* All fees are inclusive of NZ GST or any equivalent overseas tax, and do not include any programme level discount or additional course-related expenses.

For further information see School of Physical & Chemical Sciences on the departments and faculties page .

All CHEM438 Occurrences

  • CHEM438-22S1 (C) Semester One 2022