Design of functional and sustainable polymers assisted by artificial intelligence

H Tran, R Gurnani, C Kim, G Pilania, HK Kwon… - Nature Reviews …, 2024 - nature.com
Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …

A review of large language models and autonomous agents in chemistry

MC Ramos, CJ Collison, AD White - Chemical Science, 2025 - pubs.rsc.org
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly
impacting molecule design, property prediction, and synthesis optimization. This review …

[HTML][HTML] Machine learning for CO2 capture and conversion: A review

SE Jerng, YJ Park, J Li - Energy and AI, 2024 - Elsevier
Coupled electrochemical systems for the direct capture and conversion of CO 2 have
garnered significant attention owing to their potential to enhance energy-and cost-efficiency …

Accelerating materials language processing with large language models

J Choi, B Lee - Communications Materials, 2024 - nature.com
Materials language processing (MLP) can facilitate materials science research by
automating the extraction of structured data from research papers. Despite the existence of …

MaScQA: investigating materials science knowledge of large language models

M Zaki, NMA Krishnan - Digital Discovery, 2024 - pubs.rsc.org
Information extraction and textual comprehension from materials literature are vital for
develo** an exhaustive knowledge base that enables accelerated materials discovery …

Machine learning for analyses and automation of structural characterization of polymer materials

S Lu, A Jayaraman - Progress in Polymer Science, 2024 - Elsevier
Structural characterization of polymer materials is a major step in the process of creating
complex materials design-structural-property relationships. With growing interests in artificial …

Accelerating materials discovery for polymer solar cells: data-driven insights enabled by natural language processing

P Shetty, A Adeboye, S Gupta, C Zhang… - Chemistry of …, 2024 - ACS Publications
We present a simulation of various active learning strategies for the discovery of polymer
solar cell donor/acceptor pairs using data extracted from the literature spanning∼ 20 years …

From text to insight: large language models for materials science data extraction

M Schilling-Wilhelmi, M Ríos-García, S Shabih… - arxiv preprint arxiv …, 2024 - arxiv.org
The vast majority of materials science knowledge exists in unstructured natural language,
yet structured data is crucial for innovative and systematic materials design. Traditionally, the …

SciAgents: Automating Scientific Discovery Through Bioinspired Multi‐Agent Intelligent Graph Reasoning

A Ghafarollahi, MJ Buehler - Advanced Materials, 2024 - Wiley Online Library
A key challenge in artificial intelligence (AI) is the creation of systems capable of
autonomously advancing scientific understanding by exploring novel domains, identifying …

AI for dielectric capacitors

RL Liu, J Wang, ZH Shen, Y Shen - Energy Storage Materials, 2024 - Elsevier
Dielectric capacitors, characterized by ultra-high power densities, have been widely used in
Internet of Everything terminals and vigorously developed to improve their energy storage …