Implementation of Genetic Algorithms to Optimize Metal-Organic Frameworks for CO2 Capture
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下载链接：
https://zenodo.org/record/13932142
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资源简介：
Dataset associated with the publication "Implementation of Genetic Algorithms to Optimize Metal-Organic Frameworks for CO2 Capture".
Changelog:
- Include sample input files for GCMC using RASPA2 and geometry optimization using LAMMPS.
创建时间：
2024-12-27
