Please use this identifier to cite or link to this item:
http://arks.princeton.edu/ark:/88435/dsp01rv042x26t
Title: | Genetic Algorithm Crystal Optimization in a Chiral Tetramer Model System |
Contributors: | Debenedetti, Pablo G. Stillinger, Frank H. Petsev, Nikolai D. Nikoubashman, Arash Latinwo, Folarin |
Keywords: | genetic algorithms crystallization chirality |
Issue Date: | 8-Aug-2022 |
Publisher: | Princeton University |
Abstract: | Source code for our genetic algorithm optimization investigation of conglomerate and racemic chiral crystals. In this work, we address challenges in determining the stable structures formed by chiral molecules by applying the framework of genetic algorithms to predict the ground state crystal lattices formed by a chiral tetramer model. Using this code, we explore the relative stability and structures of the model’s conglomerate and racemic crystals, and extract a structural phase diagram for the stable Bravais crystal types in the zero-temperature limit. |
URI: | http://arks.princeton.edu/ark:/88435/dsp01rv042x26t https://doi.org/10.34770/CHAG-5F03 |
Referenced By: | Currently undergoing peer-review |
Appears in Collections: | Research Data Sets |
Files in This Item:
File | Description | Size | Format | |
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README_GeneticAlgorithmCrystalOptimization-ChiralTetramerModelSystem.txt | 7.55 kB | Text | View/Download | |
GeneticAlgorithmCrystalOptimization-ChiralTetramerModelSystem.zip | 30.92 kB | Unknown | View/Download |
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