Emerging trends in machine learning: A polymer perspective

TB Martin, DJ Audus - ACS Polymers Au, 2023 - ACS Publications
In the last five years, there has been tremendous growth in machine learning and artificial
intelligence as applied to polymer science. Here, we highlight the unique challenges …

Sizing up feature descriptors for macromolecular machine learning with polymeric biomaterials

S Stuart, J Watchorn, FX Gu - npj Computational Materials, 2023 - nature.com
It has proved challenging to represent the behavior of polymeric macromolecules as
machine learning features for biomaterial interaction prediction. There are several …

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 …

[HTML][HTML] AI-enabled materials discovery for advanced ceramic electrochemical cells

IT Bello, R Taiwo, OC Esan, AH Adegoke, AO Ijaola… - Energy and AI, 2024 - Elsevier
Ceramic electrochemical cells (CECs) are promising devices for clean and efficient energy
conversion and storage due to their high energy efficiency, more extended system durability …

Predicting the Glass Transition Temperature of Biopolymers via High-Throughput Molecular Dynamics Simulations and Machine Learning

D Martí, R Pétuya, E Bosoni… - ACS Applied Polymer …, 2024 - ACS Publications
Nature has only provided us with a limited number of biobased and biodegradable building
blocks. Therefore, the fine-tuning of the sustainable polymer properties is expected to be …

Unlocking enhanced thermal conductivity in polymer blends through active learning

J Xu, T Luo - npj Computational Materials, 2024 - nature.com
Polymers play an integral role in various applications, from everyday use to advanced
technologies. In the era of machine learning (ML), polymer informatics has become a vital …

Informatics-Driven Selection of Polymers for Fuel-Cell Applications

H Tran, KH Shen, S Shukla, HK Kwon… - The Journal of …, 2023 - ACS Publications
Modern fuel cell technologies use Nafion as the material of choice for the proton exchange
membrane (PEM) and as the binding material (ionomer) used to assemble the catalyst …

Cold Atmospheric Plasma Medicine: Applications, Challenges, and Opportunities for Predictive Control

A Kazemi, MKJ Nicol, SG Bilén, GS Kirimanjeswara… - Plasma, 2024 - mdpi.com
Plasma medicine is an emerging field that applies the science and engineering of physical
plasma to biomedical applications. Low-temperature plasma, also known as cold plasma, is …

Accelerated Scheme to Predict Ring-Opening Polymerization Enthalpy: Simulation-Experimental Data Fusion and Multitask Machine Learning

A Toland, H Tran, L Chen, Y Li, C Zhang… - The Journal of …, 2023 - ACS Publications
Ring-opening enthalpy (Δ H ROP) is a fundamental thermodynamic quantity controlling the
polymerization and depolymerization of an important class of recyclable polymers, namely …

Transferring a molecular foundation model for polymer property predictions

P Zhang, L Kearney, D Bhowmik, Z Fox… - Journal of Chemical …, 2023 - ACS Publications
Transformer-based large language models have remarkable potential to accelerate design
optimization for applications such as drug development and material discovery. Self …