Frost-group/HighThroughputPolarons

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Created about 1 year ago
Updated 11 months ago

Frost-group/HighThroughputPolarons

Frost-group

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High throughput polarons with the Feynman variational approach

LeadCopperApatite

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

PolaronDoubleTimePIMC.jl

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

Astowell.jl

Fractal fermion nodes