LAMMPS inputs and data files
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
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.
Just something for me to practive chemistry
quantifying specific ion effects through charge transfer models
ion hopping mechanism for pdb and lammps trj
The pkaESSRIM program
PLUMED-patched GROMACS molecular dynamics simulations repository used for my anti-scaling research project in the Wang Group.
This repository is a gift to my Pure Chemistry teacher. This repository is a game that allows you to guess ions by running tests.
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