AQME paper examples
收藏Figshare2022-12-13 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/AQME_paper_examples/20043665/12
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资源简介：
This dataset contains example for our newly developed program AQME : Automated Quantum Mechnical Envirnments for chemical analysis. We show the utility of independent modules in multiple end-to-end examples covering both jupyter notebook and HPC computing.
提供机构：
Santhanalakkshmi Vejaykummar, Shree Sowndarya; Alegre-Requena, Juan Vicente; Paton, Robert
创建时间：
2022-12-13
