CHEM-E4115 - Computational Chemistry I D, Lecture, 27.2.2023-5.5.2023
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Monte Carlo assignment
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Senaste inlämningsdatum: onsdag, 17 maj 2023, 23:59
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.
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