CHEM438-24S1 (C) Semester One 2024

Molecular Dynamics

15 points

Details:
Start Date: Monday, 19 February 2024
End Date: Sunday, 23 June 2024
Withdrawal Dates
Last Day to withdraw from this course:
  • Without financial penalty (full fee refund): Sunday, 3 March 2024
  • Without academic penalty (including no fee refund): Sunday, 12 May 2024

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 2024

Students must attend one activity from each section.

Workshop A
Activity Day Time Location Weeks
01 Thursday 13:00 - 15:00 Karl Popper 508 (22/2)
Rehua 429 (29/2-28/3, 25/4-30/5)
19 Feb - 31 Mar
22 Apr - 2 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 $1,145.00

* 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

  • CHEM438-24S1 (C) Semester One 2024