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 …

Discovery and prediction capabilities in metal-based nanomaterials: An overview of the application of machine learning techniques and some recent advances

EA Bamidele, AO Ijaola, M Bodunrin, O Ajiteru… - Advanced Engineering …, 2022 - Elsevier
The application of machine learning (ML) techniques to metal-based nanomaterials has
contributed greatly to understanding the interaction of nanoparticles, properties prediction …

Predicting polymers' glass transition temperature by a chemical language processing model

G Chen, L Tao, Y Li - Polymers, 2021 - mdpi.com
We propose a chemical language processing model to predict polymers' glass transition
temperature (T g) through a polymer language (SMILES, Simplified Molecular Input Line …

Representing polymers as periodic graphs with learned descriptors for accurate polymer property predictions

ER Antoniuk, P Li, B Kailkhura… - Journal of Chemical …, 2022 - ACS Publications
Accurately predicting new polymers' properties with machine learning models apriori to
synthesis has potential to significantly accelerate new polymers' discovery and …

Artificial intelligence in material engineering: A review on applications of artificial intelligence in material engineering

L Goswami, MK Deka, M Roy - Advanced Engineering …, 2023 - Wiley Online Library
The role of artificial intelligence (AI) in material science and engineering (MSE) is becoming
increasingly important as AI technology advances. The development of high‐performance …

Development and analysis of machine-learning guided flash nanoprecipitation (FNP) for continuous chitosan nanoparticles production

H Wu, J He, H Cheng, L Yang, HJ Park, J Li - International Journal of …, 2022 - Elsevier
Chitosan-based nanoparticles (CNPs) are widely used in drug delivery, cosmetics
formulation and food applications. To accelerate the manufacturing of CNPs, the present …

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 …

[HTML][HTML] Group Theoretic Approach towards the Balaban Index of Catacondensed Benzenoid Systems and Linear Chain of Anthracene

M Yaseen, BS Alkahtani, H Min, M Anjum - Symmetry, 2024 - mdpi.com
In this work, we present the analytical closed forms of the Balaban index for anthracene and
catacondensed benzenoid systems using group theoretic techniques. The Balaban index is …

Machine Learning for Next‐Generation Functional Materials

R Vignesh, V Balasubramani, TM Sridhar - Machine Learning for …, 2023 - Springer
Abstract Machine learning (ML) is a powerful technique for extracting insights from
multivariate data quickly and efficiently. It provides a much-needed way to speed up the …

An Embedded Membrane Meshfree Fluid-Structure Interaction Solver for Particulate and Multiphase Flow

R Ke - 2023 - search.proquest.com
This dissertation proposes a monolithic Lagrangian meshfree solution for Fluid-Structure
Interaction (FSI) problems within the Optimal Transportation Meshfree (OTM) framework. It …