Emerging trends in machine learning: a polymer perspective
In the last five years, there has been tremendous growth in machine learning and artificial
intelligence as applied to polymer science. Here, we highlight the unique challenges …
intelligence as applied to polymer science. Here, we highlight the unique challenges …
The rise of machine learning in polymer discovery
In the recent decades, with rapid development in computing power and algorithms, machine
learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the …
learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the …
[HTML][HTML] 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 …
Machine learning prediction on the fractional free volume of polymer membranes
Fractional free volume (FFV) characterizes the microstructural level features of polymers and
affects their properties including thermal, mechanical, and separation performance …
affects their properties including thermal, mechanical, and separation performance …
Multitask Machine Learning to Predict Polymer–Solvent Miscibility Using Flory–Huggins Interaction Parameters
Predicting and understanding the phase equilibria or phase separation in polymer–solvent
solutions represent unresolved fundamental problems in polymer science. The phase …
solutions represent unresolved fundamental problems in polymer science. The phase …
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 …
versatility generates challenges in the design of advanced materials due to the size and …
Heat-Resistant Polymer Discovery by Utilizing Interpretable Graph Neural Network with Small Data
H Qiu, J Wang, X Qiu, X Dai, ZY Sun - Macromolecules, 2024 - ACS Publications
Polymers with exceptional heat resistance are critically valuable in numerous domains,
particularly as essential components of flexible organic light-emitting diodes. Among these …
particularly as essential components of flexible organic light-emitting diodes. Among these …
Quantitative structure-property relationship (QSPR) framework assists in rapid mining of highly Thermostable polyimides
M Yu, Y Shi, X Liu, Q Jia, Q Wang, ZH Luo… - Chemical Engineering …, 2023 - Elsevier
Thermal stability is an invaluable aspect in assessing polymer properties, especially for
polyimides (PIs), which are known for their excellent heat resistance. However, empirically …
polyimides (PIs), which are known for their excellent heat resistance. However, empirically …
Ring repeating unit: an upgraded structure representation of linear condensation polymers for property prediction
M Yu, Y Shi, Q Jia, Q Wang, ZH Luo… - Journal of Chemical …, 2023 - ACS Publications
Unique structure representation of polymers plays a crucial role in developing models for
polymer property prediction and polymer design by data-centric approaches. Currently …
polymer property prediction and polymer design by data-centric approaches. Currently …
A QSPR study for predicting θ (LCST) and θ (UCST) in binary polymer solutions
JQ Wu, XQ Gong, Q Wang, F Yan, JJ Li - Chemical Engineering Science, 2023 - Elsevier
Lower critical solution temperature (LCST) and upper critical solution temperature (UCST)
are key thermodynamic properties of binary polymer solutions. In this work, quantitative …
are key thermodynamic properties of binary polymer solutions. In this work, quantitative …