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Minerals Cloud's Projects

cij icon cij

Semiemperical quasiharmonic thermal elasticity

delta-alooh-data-2023 icon delta-alooh-data-2023

Raw data for manuscript "High throughput sampling of phase space with deep learning potentials: δ-AlOOH at geophysical conditions" (https://arxiv.org/abs/2309.06712).

epaw icon epaw

A code for evolutionary optimization of PAW datasets especially for high-pressure applications

express.jl icon express.jl

Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community

expressbase.jl icon expressbase.jl

This package defines some basic types and functions used by the Express.jl package.

expresspy icon expresspy

This was a Python version of the express project before Express.jl. Now it is archived.

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