Building Workflows For Materials Modeling on HPC Systems | Ryan | JuliaCon 2022

Опубликовано: 15 Октябрь 2024
на канале: The Julia Programming Language
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Materials computations, especially of the ab initio kind, are intrinsically complex. These difficulties have inspired us to develop an extensible, lightweight, high-level workflow framework, `Express.jl`, to automate long and extensive sequences of the ab initio calculations. In this talk, we would like to share some experiences that we gained in building a software framework and multifunctional scientific tools with Julia's versatility.

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