AI-Designed Self-Decomposing Polymers with Embedded "Molecular Kill Switches"

  • Unique Paper ID: 177472
  • PageNo: 9249-9253
  • Abstract:
  • This paper presents a generative artificial intelligence framework for designing domain-specific polymers with programmable decomposition properties. The system combines graph neural networks with environmental trigger modeling to create materials that decompose under specific conditions including pH variations, temperature fluctuations, oxidation and microbial presence. Three-tier architecture enables real-time molecular simulation through a React-based interface while maintaining chemical stability constraints through specialized GNN layers. This approach addresses critical gaps in sustainable material science by providing an end-to-end solution for generating environmentally responsive polymers that maintain structural integrity during use but decompose rapidly after disposal.

Copyright & License

Copyright © 2026 Authors retain the copyright of this article. This article is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

BibTeX

@article{177472,
        author = {Ayush Sahu and Abhinav Kumar Pandey and Aryaman Tiwary},
        title = {AI-Designed Self-Decomposing Polymers with Embedded "Molecular Kill Switches"},
        journal = {International Journal of Innovative Research in Technology},
        year = {2025},
        volume = {11},
        number = {12},
        pages = {9249-9253},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=177472},
        abstract = {This paper presents a generative artificial intelligence framework for designing domain-specific polymers with programmable decomposition properties. The system combines graph neural networks with environmental trigger modeling to create materials that decompose under specific conditions including pH variations, temperature fluctuations, oxidation and microbial presence. Three-tier architecture enables real-time molecular simulation through a React-based interface while maintaining chemical stability constraints through specialized GNN layers. This approach addresses critical gaps in sustainable material science by providing an end-to-end solution for generating environmentally responsive polymers that maintain structural integrity during use but decompose rapidly after disposal.},
        keywords = {},
        month = {July},
        }

Cite This Article

Sahu, A., & Pandey, A. K., & Tiwary, A. (2025). AI-Designed Self-Decomposing Polymers with Embedded "Molecular Kill Switches". International Journal of Innovative Research in Technology (IJIRT), 11(12), 9249–9253.

Related Articles