Machine-learning-based predictions of polymer and postconsumer recycled polymer properties: a comprehensive review

N Andraju, GW Curtzwiler, Y Ji, E Kozliak… - … Applied Materials & …, 2022 - ACS Publications
There has been a tremendous increase in demand for virgin and postconsumer recycled
(PCR) polymers due to their wide range of chemical and physical characteristics. Despite …

Copolymer informatics with multitask deep neural networks

C Kuenneth, W Schertzer, R Ramprasad - Macromolecules, 2021 - ACS Publications
Polymer informatics tools have been recently gaining ground to efficiently and effectively
develop, design, and discover new polymers that meet specific application needs. So far …

Estimation and Prediction of the Polymers' Physical Characteristics Using the Machine Learning Models

IP Malashin, VS Tynchenko, VA Nelyub, AS Borodulin… - Polymers, 2023 - mdpi.com
This article investigates the utility of machine learning (ML) methods for predicting and
analyzing the diverse physical characteristics of polymers. Leveraging a rich dataset of …

Machine learning for polymeric materials: an introduction

MM Cencer, JS Moore, RS Assary - Polymer International, 2022 - Wiley Online Library
Polymers are incredibly versatile materials and have become ubiquitous. Increasingly,
researchers are using data science and polymer informatics to design new materials and …

Potentials and challenges of polymer informatics: exploiting machine learning for polymer design

S Wu, H Yamada, Y Hayashi, M Zamengo… - arXiv preprint arXiv …, 2020 - arxiv.org
There has been rapidly growing demand of polymeric materials coming from different
aspects of modern life because of the highly diverse physical and chemical properties of …

Evaluating polymer representations via quantifying structure–property relationships

R Ma, Z Liu, Q Zhang, Z Liu, T Luo - Journal of chemical …, 2019 - ACS Publications
Machine learning techniques are being applied in quantifying structure–property
relationships for a wide variety of materials, where the properly represented materials play …

Challenges and opportunities of polymer design with machine learning and high throughput experimentation

JN Kumar, Q Li, Y Jun - Mrs Communications, 2019 - cambridge.org
In this perspective, the authors challenge the status quo of polymer innovation. The authors
first explore how research in polymer design is conducted today, which is both time …

Machine Learning-Assisted Design of Advanced Polymeric Materials

L Gao, J Lin, L Wang, L Du - Accounts of Materials Research, 2024 - ACS Publications
Conspectus Polymeric material research is encountering a new paradigm driven by
machine learning (ML) and big data. The ML-assisted design has proven to be a successful …

Polymer informatics with multi-task learning

C Kuenneth, AC Rajan, H Tran, L Chen, C Kim… - Patterns, 2021 - cell.com
Modern data-driven tools are transforming application-specific polymer development cycles.
Surrogate models that can be trained to predict properties of polymers are becoming …

Polymer genome: a data-powered polymer informatics platform for property predictions

C Kim, A Chandrasekaran, TD Huan… - The Journal of …, 2018 - ACS Publications
The recent successes of the Materials Genome Initiative have opened up new opportunities
for data-centric informatics approaches in several subfields of materials research, including …