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                            [content] => - π-π interactions play a crucial role in determining the supramolecular structure and performance of π-conjugated molecular semiconductors, but predicting these structures is complex. *!  
- Traditional force field methods have limitations, prompting the use of advanced computational techniques such as density functional theory (DFT) to identify stable dye aggregate structures, despite challenges in exploring numerous geometries. *!  
- The study introduces a systematic method to optimize the search for energetically favorable π-stack structures, particularly using porphyrins, by focusing on dimer geometries and employing hierarchical groupings to streamline the identification of local energy minima. *!  
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