6 papers
A Synthetically-accessible Universe of Chemically Recyclable Polymers
Anagha Savit, Wei Xiong, Harikrishna Sahu +3
Polymers synthesized via ring-opening polymerization (ROP) of cyclic monomers represent an important class of materials due to their chemical recyclability and possible insertion i…
Retrieval Augmented Generation of Literature-derived Polymer Knowledge: The Example of a Biodegradable Polymer Expert System
Sonakshi Gupta, Akhlak Mahmood, Wei Xiong +1
Polymer literature contains a large and growing body of experimental knowledge, yet much of it is buried in unstructured text and inconsistent terminology, making systematic retrie…
polyRETRO: a Language Model Approach to predict Polymerization Class and Monomer(s) for a Target Polymer
Sakshi Agarwal, Wei Xiong, Rampi Ramprasad
While machine learning has transformed polymer design by enabling rapid property prediction and candidate generation, translating these designs into experimentally realizable mater…
AI-assisted design of chemically recyclable polymers for food packaging
Brandon K. Phan, Chiho Kim, Janhavi Nistane +9
Polymer packaging plays a crucial role in food preservation but poses major challenges in recycling and environmental persistence. To address the need for sustainable, high-perform…
AI-Driven Design of poly(ethylene terephthalate)-replacement copolymers
Chiho Kim, Wei Xiong, Akhlak Mahmood +2
Poly(ethylene terephthalate) (PET), a widely used thermoplastic in packaging, textiles, and engineering applications, is valued for its strength, clarity, and chemical resistance.…
polyBART: A Chemical Linguist for Polymer Property Prediction and Generative Design
Anagha Savit, Harikrishna Sahu, Shivank Shukla +2
Designing polymers for targeted applications and accurately predicting their properties is a key challenge in materials science owing to the vast and complex polymer chemical space…