[HTML][HTML] Synthesis, properties, applications, 3D printing and machine learning of graphene quantum dots in polymer nanocomposites

V Dananjaya, S Marimuthu, R Yang, AN Grace… - Progress in Materials …, 2024 - Elsevier
This comprehensive review discusses the recent progress in synthesis, properties,
applications, 3D printing and machine learning of graphene quantum dots (GQDs) in …

Design of functional and sustainable polymers assisted by artificial intelligence

H Tran, R Gurnani, C Kim, G Pilania, HK Kwon… - Nature Reviews …, 2024 - nature.com
Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …

[HTML][HTML] 3D printing of biodegradable polymers and their composites–Current state-of-the-art, properties, applications, and machine learning for potential future …

SAV Dananjaya, VS Chevali, JP Dear, P Potluri… - Progress in Materials …, 2024 - Elsevier
This review paper comprehensively examines the dynamic landscape of 3D printing and
Machine Learning utilizing biodegradable polymers and their composites, presenting a …

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 …

Concepts of artificial intelligence for computer-assisted drug discovery

X Yang, Y Wang, R Byrne, G Schneider… - Chemical …, 2019 - ACS Publications
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …

Machine learning in materials informatics: recent applications and prospects

R Ramprasad, R Batra, G Pilania… - npj Computational …, 2017 - nature.com
Propelled partly by the Materials Genome Initiative, and partly by the algorithmic
developments and the resounding successes of data-driven efforts in other domains …

Review of polymer‐based nanodielectric exploration and film scale‐up for advanced capacitors

DQ Tan - Advanced Functional Materials, 2020 - Wiley Online Library
The uprising demands for electrical power and electrification requires advanced dielectric
functionalities including high capacitance density, high energy density, high current …

[HTML][HTML] Less is more: Sampling chemical space with active learning

JS Smith, B Nebgen, N Lubbers, O Isayev… - The Journal of …, 2018 - pubs.aip.org
The development of accurate and transferable machine learning (ML) potentials for
predicting molecular energetics is a challenging task. The process of data generation to train …

Prediction errors of molecular machine learning models lower than hybrid DFT error

FA Faber, L Hutchison, B Huang, J Gilmer… - Journal of chemical …, 2017 - ACS Publications
We investigate the impact of choosing regressors and molecular representations for the
construction of fast machine learning (ML) models of 13 electronic ground-state properties of …

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 …