Design of functional and sustainable polymers assisted by artificial intelligence
Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …
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
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 …
consulting services, but the hallucination problem poses potential legal risks. This paper …
Can language models be used for real-world urban-delivery route optimization?
Language models have contributed to breakthroughs in interdisciplinary research, such as
protein design and molecular dynamics understanding. In this study, we reveal that beyond …
protein design and molecular dynamics understanding. In this study, we reveal that beyond …
AI-assisted discovery of high-temperature dielectrics for energy storage
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 …
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
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 …
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
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 …
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
Abstract Machine learning (ML) models for predicting gas permeability through polymers
have traditionally relied on experimental data. While these models exhibit robustness within …
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
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 …
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 …
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 …
challenges, a competency that eludes the majority of off-the-shelf machine learning models …