Chris Davies
ChrisDavi3s
F̶i̶r̶s̶t̶ Second Year Computational Materials Modelling DPhil Student @UniOfOxford
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An open source arduino heart rate monitor based on the AD8232 with a graphical interface written in python.
An Active Learning workflow for a committee of ASE calculators
A python package to analyse diffusive properties of an MD simulation.
A repository for the analysis scripts and potentials for "Effect of Zinc Incorporation on the Structure, Conductivity and (Electro)chemical Stability of Li6−2xZnxPS5X (X = Br, Cl, I) Argyrodite Solid Electrolytes"
A copy of the ASL License for easy reference
A (tiny) wrapper around ASE calculators to speed up analyzing and comparing the accuracy of different molecular dynamics simulation methods.
Repositories
22A repository for the analysis scripts and potentials for "Effect of Zinc Incorporation on the Structure, Conductivity and (Electro)chemical Stability of Li6−2xZnxPS5X (X = Br, Cl, I) Argyrodite Solid Electrolytes"
An open source arduino heart rate monitor based on the AD8232 with a graphical interface written in python.
An Active Learning workflow for a committee of ASE calculators
A copy of the ASL License for easy reference
A (tiny) wrapper around ASE calculators to speed up analyzing and comparing the accuracy of different molecular dynamics simulation methods.
A python package to analyse diffusive properties of an MD simulation.
A PyQt5-based application for visualising atomic trajectory data in 3D, designed specifically for molecular dynamics analysis.
NequIP is a code for building E(3)-equivariant interatomic potentials
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
Tools for analysing molecular dynamics simulations using site occupations
(DEPRECIATED) A script to simplify comparison of ASE calculator objects.
A tool to generate a training set for a ML potential f0r HPC envionments SLURM and VASP
Useful snippets for
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Config files for my GitHub profile.
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A simple Arduino controlled LED lamp. Led's dispersed throughout the model can flash to simulate lightning
Useful snippets for python data analysis - with an example of work.
A small arduino project to find prime numbers and display them on an I2C oled
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