13 citations · 19 across the 10 of their papers we have counts for
8 papers · 1 filter
A roadmap for polymer informatics super-intelligence
Akhlak Mahmood, Janhavi Nistane, Huan Tran +2
Polymer informatics has matured from isolated property-prediction studies into an integrated discipline that couples data, models, and decision-making across the polymer design cyc…
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…
Accelerated design of proton exchange membranes for green hydrogen production with artificial intelligence
Huan Tran, Akhlak Mahmood, Harshal Chaudhari +5
Water electrolysis is an eco-friendly method for hydrogen production that has reached significant levels of technological maturity. Among commercialized water-electrolysis technolo…
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.…
AI-Assisted Physics-Informed Predictions of Degradation Behavior of Polymeric Anion Exchange Membranes
William Schertzer, Mohamed Al Otmi, Janani Sampath +2
The global transition to hydrogen-based energy infrastructures faces significant hurdles. Chief among these are the high costs and sustainability issues associated with acid-based…
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…