Machine learning enabled customization of performance-oriented hydrogen storage materials for fuel cell systems

P Zhou, X Xiao, X Zhu, Y Chen, W Lu, M Piao… - Energy Storage …, 2023 - Elsevier
Hydrogen storage materials with different crystal configurations have been extensively
investigated for hydrogen promotion. To escape the dilemma of traditional trial-and-error …

[HTML][HTML] Insights into metal glass forming ability based on data-driven analysis

T Gao, Y Ma, Y Liu, Q Chen, Y Liang, Q Xie, Q Xiao - Materials & Design, 2023 - Elsevier
Scientists have extensively studied metallic glasses (MGs) for their excellent properties and
potential applications. However, the limited glass forming ability (GFA) of MGs poses a …

[HTML][HTML] Empowering research in chemistry and materials science through intelligent algorithms

J Lin, F Mo - Artificial Intelligence Chemistry, 2024 - Elsevier
In this review, we explore the integration of intelligent algorithms in chemistry and materials
science. We begin by delineating the core principles of Machine Learning, Deep Learning …

Tribological properties study and prediction of PTFE composites based on experiments and machine learning

Q Wang, X Wang, X Zhang, S Li, T Wang - Tribology International, 2023 - Elsevier
The tribological properties of materials exhibit a complex and non-linear correlation under
varying operational conditions. Therefore, prioritizing a data-driven approach to predict …

Machine learning prediction of delignification and lignin structure regulation of deep eutectic solvents pretreatment processes

H Ge, Y Liu, B Zhu, Y Xu, R Zhou, H Xu, B Li - Industrial Crops and …, 2023 - Elsevier
Prediction of the pretreatment efficiency of lignocellulosic biomass with ternary deep eutectic
solvents (DES) containing Lewis acids by machine learning (ML). Principal component …

Opportunities for Machine Learning and Artificial Intelligence to Advance Synthetic Drug Substance Process Development

DJ Griffin, CW Coley, SA Frank… - … Process Research & …, 2023 - ACS Publications
The goals of this Perspective are threefold:(1) to inform a broad audience, including
machine learning (ML) and artificial intelligence (AI) academics and professionals, about …

A general neural network model co-driven by mechanism and data for the reliable design of gas–liquid T-junction microdevices

Y Chang, L Sheng, J Wang, J Deng, G Luo - Lab on a Chip, 2023 - pubs.rsc.org
In recent years, many models have been developed to describe the gas–liquid
microdispersion process, which mainly rely on mechanistic analysis and may not be …

Machine learning assisted stability analysis of blue quantum dot light-emitting diodes

C Chen, X Lin, X Wu, H Bao, L Wu, X Hu, Y Zhang… - Nano Letters, 2023 - ACS Publications
The operational stability of the blue quantum dot light-emitting diode (QLED) has been one
of the most important obstacles to initialize its industrialization. In this work, we demonstrate …

Odeformer: Symbolic regression of dynamical systems with transformers

S d'Ascoli, S Becker, A Mathis, P Schwaller… - arXiv preprint arXiv …, 2023 - arxiv.org
We introduce ODEFormer, the first transformer able to infer multidimensional ordinary
differential equation (ODE) systems in symbolic form from the observation of a single …

Heat-Resistant Polymer Discovery by Utilizing Interpretable Graph Neural Network with Small Data

H Qiu, J Wang, X Qiu, X Dai, ZY Sun - Macromolecules, 2024 - ACS Publications
Polymers with exceptional heat resistance are critically valuable in numerous domains,
particularly as essential components of flexible organic light-emitting diodes. Among these …