CHEM-E4115 - Computational Chemistry I D, Lecture, 28.2.2022-29.4.2022
This course space end date is set to 29.04.2022 Search Courses: CHEM-E4115
Monte Carlo assignment
Completion requirements
Due: Tuesday, 10 May 2022, 11:59 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/1723663/mod_assign/intro/textgradingtable2022.pdf
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