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 …

Chatlaw: Open-source legal large language model with integrated external knowledge bases

J Cui, Z Li, Y Yan, B Chen, L Yuan - CoRR, 2023 - openreview.net
AI legal assistants based on Large Language Models (LLMs) can provide accessible legal
consulting services, but the hallucination problem poses potential legal risks. This paper …

Can language models be used for real-world urban-delivery route optimization?

Y Liu, F Wu, Z Liu, K Wang, F Wang, X Qu - The Innovation, 2023 - cell.com
Language models have contributed to breakthroughs in interdisciplinary research, such as
protein design and molecular dynamics understanding. In this study, we reveal that beyond …

AI-assisted discovery of high-temperature dielectrics for energy storage

R Gurnani, S Shukla, D Kamal, C Wu, J Hao… - Nature …, 2024 - nature.com
Electrostatic capacitors play a crucial role as energy storage devices in modern electrical
systems. Energy density, the figure of merit for electrostatic capacitors, is primarily …

Navigating the Expansive Landscapes of Soft Materials: A User Guide for High-Throughput Workflows

EC Day, SS Chittari, MP Bogen, AS Knight - ACS Polymers Au, 2023 - ACS Publications
Synthetic polymers are highly customizable with tailored structures and functionality, yet this
versatility generates challenges in the design of advanced materials due to the size and …

Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language

NH Park, M Manica, J Born, JL Hedrick… - Nature …, 2023 - nature.com
Advances in machine learning (ML) and automated experimentation are poised to vastly
accelerate research in polymer science. Data representation is a critical aspect for enabling …

Gas permeability, diffusivity, and solubility in polymers: Simulation-experiment data fusion and multi-task machine learning

BK Phan, KH Shen, R Gurnani, H Tran… - npj Computational …, 2024 - nature.com
Abstract Machine learning (ML) models for predicting gas permeability through polymers
have traditionally relied on experimental data. While these models exhibit robustness within …

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 …

On-demand reverse design of polymers with PolyTAO

H Qiu, ZY Sun - npj Computational Materials, 2024 - nature.com
The forward screening and reverse design of drug molecules, inorganic molecules, and
polymers with enhanced properties are vital for accelerating the transition from laboratory …

PolyNC: a natural and chemical language model for the prediction of unified polymer properties

H Qiu, L Liu, X Qiu, X Dai, X Ji, ZY Sun - Chemical Science, 2024 - pubs.rsc.org
Language models exhibit a profound aptitude for addressing multimodal and multidomain
challenges, a competency that eludes the majority of off-the-shelf machine learning models …