MatGPT: A vane of materials informatics from past, present, to future

Z Wang, A Chen, K Tao, Y Han, J Li - Advanced Materials, 2024 - Wiley Online Library
Combining materials science, artificial intelligence (AI), physical chemistry, and other
disciplines, materials informatics is continuously accelerating the vigorous development of …

[HTML][HTML] Meta-analysis of CO2 conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database

A Salden, M Budde, CA Garcia-Soto, O Biondo… - Journal of Energy …, 2023 - Elsevier
This paper brings the comparison of performances of CO 2 conversion by plasma and
plasma-assisted catalysis based on the data collected from literature in this field, organised …

Atom substitution of the solid-state electrolyte Li10GeP2S12 for stabilized all-solid-state lithium metal batteries

Z Wan, X Chen, Z Zhou, X Zhong, X Luo… - Journal of Energy …, 2024 - Elsevier
Abstract Solid-state electrolyte Li 10 GeP 2 S 12 (LGPS) has a high lithium ion conductivity
of 12 mS cm− 1 at room temperature, but its inferior chemical stability against lithium metal …

AlphaMat: a material informatics hub connecting data, features, models and applications

Z Wang, A Chen, K Tao, J Cai, Y Han, J Gao… - npj Computational …, 2023 - nature.com
The development of modern civil industry, energy and information technology is inseparable
from the rapid explorations of new materials. However, only a small fraction of materials …

XRDMatch: a semi-supervised learning framework to efficiently discover room temperature lithium superionic conductors

Z Wan, Z Chen, H Chen, Y Jiang, J Zhang… - Energy & …, 2024 - pubs.rsc.org
The long-sought prediction pipelines for solid-state electrolytes (SSEs) with room-
temperature superionic conductivity mark a significant milestone on the path towards …

[HTML][HTML] Speeding up the development of solid state electrolyte by machine learning

Q Hu, K Chen, J Li, T Zhao, F Liang, D Xue - Next Energy, 2024 - Elsevier
Solid-state electrolytes have been demonstrated immense potential with their high density
and safety for Li, Na batteries. The discovery of novel crystals is of fundamental scientific and …

Transformer enables ion transport behavior evolution and conductivity regulation for solid electrolyte

K Tao, Z Wang, Z Lao, A Chen, Y Han, L Shi… - Energy Storage …, 2024 - Elsevier
Ab initio molecular dynamics (AIMD) is an important technique for studying ion transport
within solid electrolyte and interface effects between electrode and electrolyte, which is …

Unlocking Potential of Pyrochlore in Energy Systems via Soft Voting Ensemble Learning

K Tao, Z Wang, A Chen, Y Han, J Liu, X Zhang, J Li - Small, 2024 - Wiley Online Library
In traditional machine learning (ML)‐based material design, the defects of low prediction
accuracy, overfitting and low generalization ability are mainly caused by the training of a …

Theoretical calculation and simulations power the design of inorganic solid-state electrolytes

L Xia, H Liu, Y Pei - Nanoscale, 2024 - pubs.rsc.org
Using solid-state electrolytes (SSEs) to build batteries helps improve the safety and lifespan
of batteries, making it crucial to deeply understand the fundamental physical and chemical …

CEEM: a Chemically Explainable Deep Learning Platform for Identifying Compounds with Low Effective Mass

J Gao, Z Wang, Y Han, M Gao, J Li - Small, 2024 - Wiley Online Library
The semiconductor industry occupies a crucial position in the fields of integrated circuits,
energy, and communication systems. Effective mass (mE), which is closely related to …