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 …
Map** biomaterial complexity by machine learning
Biomaterials often have subtle properties that ultimately drive their bespoke performance.
Given this nuanced structure–function behavior, the standard scientific approach of one …
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 …
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 …
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 …
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 …
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
Here we report a thermoset shape memory polymer-based syntactic foam inherently
integrated with flame retardancy, good mechanical properties, excellent shape memory …
integrated with flame retardancy, good mechanical properties, excellent shape memory …
Deep learning for predicting the thermomechanical behavior of shape memory polymers
Thermomechanical constitutive modeling is essential for shape memory polymers (SMPs) to
be used in engineering structures and devices. However, the classical method of deriving …
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
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 …
enabling future space colonization. However, the complexity of the mechanisms for flame …
Recent advances in smart self-healing polymers and composites
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 …
back in 2015. These can be summarized as follows: integration of multiple properties into …