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LAMMPS inputs and data files
A Julia package for accessing chemical elements data.
This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
quantifying specific ion effects through charge transfer models
Package used in my master thesis to analyze the behaviour of H3O and OH ions in water, with a focus on the recombination process.
GROMACS tutorials for both beginners and advanced users
This repository is a gift to my Pure Chemistry teacher. This repository is a game that allows you to guess ions by running tests.