Frost-group/LeadCopperApatite

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Created over 1 year ago
Updated over 1 year ago

Frost-group/LeadCopperApatite

Frost-group

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Modelling the new Lead-Copper apatite proposed room temperature supeconductor

2021-SEM-MRes-MaterialStructureAndDynamics-ComputationalWorkshop

Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics

Jupyter Notebook

PolaronQMC.jl

Pigs might just fly.

Tethys.jl

Diagrammatic Monte-Carlo (DiagMC) calculation of Frohlich polarons. A WIP.

hpc-bin

Jarv's files from the HPC ~/bin

GPFC.jl

GBGA.jl

A work in progress. Graph Based Genetic Algorithm in Julia via MolecularGraph.jl

MolGN.jl

Molecular Graph Networks - a work in progress

HighThroughputNFAs

High throughput studies of NFA (Non fullerene acceptors) for organic photovoltaic and upconversion

pathintegraldynamics

Jupyter Notebook

PaperOracle.jl

Scientific paper LLM enquirer; a (Julia) work in progress

HighThroughputPolarons

High throughput polarons with the Feynman variational approach

PolaronDoubleTimePIMC.jl

Implementing the Imaginary and Real time path integral Monte Carlo method developed by Miladić and Vukmirović

Astowell.jl

Fractal fermion nodes