Workflows for atomistic modeling of oxide glasses
Project description
Workflows for atomistic modeling of oxide glasses
This project aims at setting up pyiron-workflows to perform atomistic simulations for glasses. This concerns, but is not limited to, generating initial structural models, performing melt-quenching simulations as well as analysing relevant properties.
Later, these workflows serve as blueprints intended to be used by "Otto", the GlasAgent.
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