Dielectric polymers for high-temperature capacitive energy storage

H Li, Y Zhou, Y Liu, L Li, Y Liu, Q Wang - Chemical Society Reviews, 2021 - pubs.rsc.org
Polymers are the preferred materials for dielectrics in high-energy-density capacitors. The
electrification of transport and growing demand for advanced electronics require polymer …

Polymer informatics: Current status and critical next steps

L Chen, G Pilania, R Batra, TD Huan, C Kim… - Materials Science and …, 2021 - Elsevier
Artificial intelligence (AI) based approaches are beginning to impact several domains of
human life, science and technology. Polymer informatics is one such domain where AI and …

A graph representation of molecular ensembles for polymer property prediction

M Aldeghi, CW Coley - Chemical Science, 2022 - pubs.rsc.org
Synthetic polymers are versatile and widely used materials. Similar to small organic
molecules, a large chemical space of such materials is hypothetically accessible …

Machine-learning predictions of polymer properties with Polymer Genome

H Doan Tran, C Kim, L Chen… - Journal of Applied …, 2020 - pubs.aip.org
Polymer Genome is a web-based machine-learning capability to perform near-
instantaneous predictions of a variety of polymer properties. The prediction models are …

Benchmarking machine learning models for polymer informatics: an example of glass transition temperature

L Tao, V Varshney, Y Li - Journal of Chemical Information and …, 2021 - ACS Publications
In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the
glass transition temperature T g and other properties of polymers has attracted extensive …

polyBERT: a chemical language model to enable fully machine-driven ultrafast polymer informatics

C Kuenneth, R Ramprasad - Nature Communications, 2023 - nature.com
Polymers are a vital part of everyday life. Their chemical universe is so large that it presents
unprecedented opportunities as well as significant challenges to identify suitable application …

Polymer design using genetic algorithm and machine learning

C Kim, R Batra, L Chen, H Tran… - Computational Materials …, 2021 - Elsevier
Data driven or machine learning (ML) based methods have been recently used in materials
science to provide quick material property predictions. Although powerful and robust, these …

High-temperature energy storage polyimide dielectric materials: polymer multiple-structure design

JW Zha, Y Tian, MS Zheng, B Wan, X Yang… - Materials Today Energy, 2023 - Elsevier
Polymer dielectrics have been proved to be critical materials for film capacitors with high
energy density. However, the harsh operating environment requires dielectrics with high …

Bias free multiobjective active learning for materials design and discovery

KM Jablonka, GM Jothiappan, S Wang, B Smit… - Nature …, 2021 - nature.com
The design rules for materials are clear for applications with a single objective. For most
applications, however, there are often multiple, sometimes competing objectives where …

Machine learning in combinatorial polymer chemistry

AJ Gormley, MA Webb - Nature Reviews Materials, 2021 - nature.com
The design of new functional polymers depends on the successful navigation of their
structure-function landscapes. Advances in combinatorial polymer chemistry and machine …