CHEM-E4115 - Computational Chemistry I, 07.01.2019-21.02.2019
This course space end date is set to 21.02.2019 Search Courses: CHEM-E4115
Molecular Modelling assignment: Monte Carlo molecular modelling
Completion requirements
Due: Monday, 4 March 2019, 11:55 PM
In the assignment, the Metropolis Monte Carlo method is employed to study ion distribution in a water solution
around a rigid polyelectrolyte (charged polymer) of varying charge density
(varying charge/length) using a model which describes the polyelectrolyte as a
rigid, hard charged cylinder and the ions as charged hard spheres. See the pdf below for specific instructions.
A link to the essay evaluation guidelines: https://mycourses.aalto.fi/pluginfile.php/601260/mod_resource/content/2/textgradingtable2018.pdf
- 7 February 2019, 11:16 PM
- 7 February 2019, 11:16 PM
- 7 February 2019, 11:16 PM