Recent advances and challenges in experiment-oriented polymer informatics

K Hatakeyama-Sato - Polymer Journal, 2023 - nature.com
This review summarizes recent advances in experimental polymer chemistry supported by
data science. The area of polymer informatics is rapidly growing based on cheminformatics …

Self-assembly of peptides: The acceleration by molecular dynamics simulations and machine learning

N Cao, K Huang, J Xie, H Wang, X Shi - Nano Today, 2024 - Elsevier
Peptides, biopolymeric compounds connected by peptide bonds, have garnered significant
attention in recent years as their potential wide applications in fields such as drug delivery …

Recent Advances in Fluorescent Polymers with Color-Tunable Aggregate Emission

S Ye, Y Bao - Chemistry of Materials, 2024 - ACS Publications
The modulation of fluorescence properties of light-emitting molecules, especially in solid or
aggregate states, is crucial for their practical applications. Polymeric systems offer flexible …

Application of machine learning in material synthesis and property prediction

G Huang, Y Guo, Y Chen, Z Nie - Materials, 2023 - mdpi.com
Material innovation plays a very important role in technological progress and industrial
development. Traditional experimental exploration and numerical simulation often require …

Automatically Predicting Material Properties with Microscopic Images: Polymer Miscibility as an Example

Z Liang, Z Tan, R Hong, W Ouyang… - Journal of Chemical …, 2023 - ACS Publications
Many material properties are manifested in the morphological appearance and
characterized using microscopic images, such as scanning electron microscopy (SEM) …

Data-driven prediction of Janus/Core–Shell morphology in polymer particles: A machine-learning approach

B Esteki, M Masoomi, M Moosazadeh, CK Yoo - Langmuir, 2023 - ACS Publications
The majority of research on Janus particles prepared by solvent evaporation-induced phase
separation technique uses models based on interfacial tension or free energy to predict …

Transfer Learning Facilitates the Prediction of Polymer–Surface Adhesion Strength

J Shi, F Albreiki, YJ Colón, S Srivastava… - Journal of Chemical …, 2023 - ACS Publications
Machine learning (ML) accelerates the exploration of material properties and their links to
the structure of the underlying molecules. In previous work [Shi et al. ACS Applied Materials …

Colloidal crystals of monodisperse fluoro-nanoparticles by aqueous polymerization-induced self-assembly

N An, X Chen, M Zheng, J Yuan - Chemical Communications, 2023 - pubs.rsc.org
Here, we prepared monodisperse fluorinated nanospheres with the diameter regulated from
100 to 200 nm and PDI of the diameter lower than 0.05 via polymerization-induced self …

Application of Digital Methods in Polymer Science and Engineering

T Schuett, P Endres, T Standau… - Advanced Functional …, 2024 - Wiley Online Library
The development of new polymer materials is an emerging field for more than 100 years.
However, it is currently facing major challenges and the application of digital methods can …

Polymerization-Mediated Through-Space Charge Transfer: An Emerging Strategy for Light-Emitting Materials

Y Bao - Langmuir, 2024 - ACS Publications
Through-space charge transfer (TSCT) has attracted increasing attention owing to its great
potential in designing efficient light-emitting molecules and polymers. Complementary to …