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Simulations I have created and interesting interpolations of data I have done. Projects include: Simple gaussian decomposition which I did to absorbance spectra from my physical chemistry course as an addition to the normal course work; a simple molecular dynamics simulation; and possibly coming soon a molecular simulation/ coupled cluster method.

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JPMarquardt/Simulations-Interpolations-WIP-

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A repo for various small projects that I have undertaken and often mention in my applications. The coding styles are not very good as each project is over 2 years old, but the results are functional.

For example here is the gif of Metadynamics on a monte carlo simulation of a single particle in a 1D double well.

A red point oscillates in the left of a double well potential while slowly filling the left well until it eventually passes the halfway point and the simulation ends

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Simulations I have created and interesting interpolations of data I have done. Projects include: Simple gaussian decomposition which I did to absorbance spectra from my physical chemistry course as an addition to the normal course work; a simple molecular dynamics simulation; and possibly coming soon a molecular simulation/ coupled cluster method.

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