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.
PLUMED-patched GROMACS molecular dynamics simulations repository used for my anti-scaling research project in the Wang Group.
The pkaESSRIM program
Simple camera data acquisition and analysis software, compatible with OpticsFoudnry Control, and used to bootstrap the AQuRA clock, www.AQuRAClock.eu.
In-progress website for use as a chemistry learning resource.
This repository is a gift to my Pure Chemistry teacher. This repository is a game that allows you to guess ions by running tests.
OpticsFoundry Sequencer code for Z-Turn V2 board, used to control the OpticsFoundry experiment control electronics.
Experiment control system based on ControlLight. This code can be used with a GUI, providing a convenient, flexible way to control atomic, molecular or optical experiments. It can also be used as a library, giving access to higher level functions than available through ControlLight. This code is used for the AQuRA clock, see www.AQuRAClock.eu.
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