CHEM438-25S1 (C) Semester One 2025

Molecular Dynamics

15 points

Details:
Start Date: Monday, 17 February 2025
End Date: Sunday, 22 June 2025
Withdrawal Dates
Last Day to withdraw from this course:
  • Without financial penalty (full fee refund): Sunday, 2 March 2025
  • Without academic penalty (including no fee refund): Sunday, 11 May 2025

Description

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

Prerequisites

Approval by the Tumuaki Kura | Head of School

Restrictions

Equivalent Courses

Timetable 2025

Students must attend one activity from each section.

Workshop A
Activity Day Time Location Weeks
01 Wednesday 09:00 - 11:00 A7
17 Feb - 6 Apr
28 Apr - 1 Jun

Course Coordinator

Deborah Crittenden

Assessment

Assessment Due Date Percentage  Description
Assignments 100% 3 assignments worth 100% in total, comprising a mixture of written work and oral presentations.

Indicative Fees

Domestic fee $1,213.00

* 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 .

All CHEM438 Occurrences

  • CHEM438-25S1 (C) Semester One 2025
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