Emerging trends in machine learning: A polymer perspective
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 …
intelligence as applied to polymer science. Here, we highlight the unique challenges …
Sizing up feature descriptors for macromolecular machine learning with polymeric biomaterials
It has proved challenging to represent the behavior of polymeric macromolecules as
machine learning features for biomaterial interaction prediction. There are several …
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 …
unprecedented opportunities as well as significant challenges to identify suitable application …
[HTML][HTML] AI-enabled materials discovery for advanced ceramic electrochemical cells
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 …
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
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 …
blocks. Therefore, the fine-tuning of the sustainable polymer properties is expected to be …
Unlocking enhanced thermal conductivity in polymer blends through active learning
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 …
technologies. In the era of machine learning (ML), polymer informatics has become a vital …
Informatics-Driven Selection of Polymers for Fuel-Cell Applications
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 …
membrane (PEM) and as the binding material (ionomer) used to assemble the catalyst …
Cold Atmospheric Plasma Medicine: Applications, Challenges, and Opportunities for Predictive Control
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 …
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
Ring-opening enthalpy (Δ H ROP) is a fundamental thermodynamic quantity controlling the
polymerization and depolymerization of an important class of recyclable polymers, namely …
polymerization and depolymerization of an important class of recyclable polymers, namely …
Transferring a molecular foundation model for polymer property predictions
Transformer-based large language models have remarkable potential to accelerate design
optimization for applications such as drug development and material discovery. Self …
optimization for applications such as drug development and material discovery. Self …