Codes

Solving the Poisson-Boltzmann equation with Lennard-Jones (LJ) interactions

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PB-LJ (this link opens in a new window) by agrgroup (this link opens in a new window)

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Cataloging the shapes of stable nanopores in graphene:

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StableNanopores (this link opens in a new window) by agrgroup (this link opens in a new window)

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Machine learning nanopore formation in graphene to predict the probabilities and formation times of arbitrary nanopore shapes:

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MLforNanopores (this link opens in a new window) by agrgroup (this link opens in a new window)

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Cataloging the most-probable nanopore (vacancy defect) shapes in graphene:

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nanopore_isomers (this link opens in a new window) by agrgroup (this link opens in a new window)

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Enumerating competing electrocatalytic mechanisms and their overpotentials:

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optimizeOERmechanism (this link opens in a new window) by agrgroup (this link opens in a new window)

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