The rise of machine learning in polymer discovery

C Yan, G Li - Advanced Intelligent Systems, 2023 - Wiley Online Library
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 …

Map** biomaterial complexity by machine learning

E Ahmed, P Mulay, C Ramirez… - … Engineering Part A, 2024 - liebertpub.com
Biomaterials often have subtle properties that ultimately drive their bespoke performance.
Given this nuanced structure–function behavior, the standard scientific approach of one …

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 …

Machine learning-assisted synthesis of two-dimensional materials

M Lu, H Ji, Y Zhao, Y Chen, J Tao, Y Ou… - … Applied Materials & …, 2022 - ACS Publications
Two-dimensional (2D) materials have intriguing physical and chemical properties, which
exhibit promising applications in the fields of electronics, optoelectronics, as well as energy …

Prediction and Interpretability of Glass Transition Temperature of Homopolymers by Data-Augmented Graph Convolutional Neural Networks

J Hu, Z Li, J Lin, L Zhang - ACS Applied Materials & Interfaces, 2023 - ACS Publications
Establishing the structure–property relationship by machine learning (ML) models is
extremely valuable for accelerating the molecular design of polymers. However, existing ML …

Modeling glass transition temperatures of epoxy systems: a machine learning study

S Meier, RQ Albuquerque, M Demleitner… - Journal of Materials …, 2022 - Springer
The use of machine learning (ML) models to screen new materials is becoming increasingly
common as they accelerate material discovery and increase sustainability. In this work, the …

A thermoset shape memory polymer-based syntactic foam with flame retardancy and 3D printability

R Abedin, X Feng, J Pojman Jr, S Ibekwe… - ACS applied polymer …, 2022 - ACS Publications
Here we report a thermoset shape memory polymer-based syntactic foam inherently
integrated with flame retardancy, good mechanical properties, excellent shape memory …

Deep learning for predicting the thermomechanical behavior of shape memory polymers

DS Ibarra, J Mathews, F Li, H Lu, G Li, J Chen - Polymer, 2022 - Elsevier
Thermomechanical constitutive modeling is essential for shape memory polymers (SMPs) to
be used in engineering structures and devices. However, the classical method of deriving …

Advancing flame retardant prediction: A self-enforcing machine learning approach for small datasets

C Yan, X Lin, X Feng, H Yang, P Mensah… - Applied Physics Letters, 2023 - pubs.aip.org
Improving the fireproof performance of polymers is crucial for ensuring human safety and
enabling future space colonization. However, the complexity of the mechanisms for flame …

Recent advances in smart self-healing polymers and composites

G Li, X Feng - 2022 - books.google.com
There have been many new developments since the first edition of this book was published
back in 2015. These can be summarized as follows: integration of multiple properties into …