LAMMPS inputs and data files
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
Learning Universal Representations of Intermolecular Interactions with ATOMICA
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
Just something for me to practive chemistry
ion hopping mechanism for pdb and lammps trj
Solver to compute the groundstate of atoms and ions formulated in the Extended-Kohn-Sham framework.
Simple camera data acquisition and analysis software, compatible with OpticsFoudnry Control, and used to bootstrap the AQuRA clock, www.AQuRAClock.eu.
PLUMED-patched GROMACS molecular dynamics simulations repository used for my anti-scaling research project in the Wang Group.
The pkaESSRIM program
In-progress website for use as a chemistry learning resource.
10th Grade Chemistry — Chapter 17: Ions & Ionic Bonding study materials
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