Machine learning enabled customization of performance-oriented hydrogen storage materials for fuel cell systems
Hydrogen storage materials with different crystal configurations have been extensively
investigated for hydrogen promotion. To escape the dilemma of traditional trial-and-error …
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 …
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
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 …
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
The tribological properties of materials exhibit a complex and non-linear correlation under
varying operational conditions. Therefore, prioritizing a data-driven approach to predict …
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 …
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 …
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 …
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 …
of the most important obstacles to initialize its industrialization. In this work, we demonstrate …
Odeformer: Symbolic regression of dynamical systems with transformers
We introduce ODEFormer, the first transformer able to infer multidimensional ordinary
differential equation (ODE) systems in symbolic form from the observation of a single …
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 …
particularly as essential components of flexible organic light-emitting diodes. Among these …