Results 171 to 180 of about 8,535 (275)

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

Advanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang, Abudukadi Tudi, Ran An, Zhihua Yang   +3 more
wiley   +1 more source

Operando Identification of the Active Phase in Sr‐Promoted Lanthanum Cobaltite Perovskite‐Derived Catalysts for Ammonia Decomposition

Angewandte Chemie, EarlyView.
Ammonia decomposition catalyzed by base metals: Exsolution of cobalt from perovskites prepared by spray‐flame synthesis (SFS) yields highly active, SrO‐promoted Co/La2O3 catalysts with low cobalt content. Operando studies provide insight into the function of the promoter. Dynamic surface reconstruction under operating conditions increases the interface
Barış Alkan, Liseth Duarte‐Correa, Detre Teschner, Kassiogé Dembélé, Mino Borrelli, Anh Binh Ngo, Konstantinos Kappis, Mattia Scardamaglia, Zohreh Asadi, Wiebke Riedel, Thomas Risse, Frank Girgsdies, Gregor Koch, Olaf Timpe, Axel Knop‐Gericke, Thomas Lunkenbein, Annette Trunschke   +16 more
wiley   +2 more sources

Identifying candidate genes related to rice ML under salt-alkali tolerance. [PDF]

BMC Plant Biol
Ren N, Zhu S, Feng J, Li B, Shen C, Li M, Xu J, Zhai L, Chen K.   +8 more
europepmc   +1 more source

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

Advanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal, Weiyi Gong, Huta Banjade, Qimin Yan   +3 more
wiley   +1 more source

Dimensional Reduction of Transition Metal Dichalcogenides by Oxide Insertion: Quasi‐1D Oxychalcogenide Semiconductors

Angewandte Chemie, EarlyView.
Molecular Scissors: Oxide insertion slices the layers of MQ2 transition metal dichalcogenides (TMDs) into one‐dimensional [M3Q6] nanoribbons, giving a new family of A2Hf3Q6O (A = K, Rb, Cs; Q = S, Se) oxychalcogenides. The heteroanion‐driven dimensional reduction yields direct‐gap semiconductors with optical absorption that is tunable across the ...
Ayat Tassanov, Azamat Yessengazin, Huiju Lee, Pedro R. Trinidad‐Pérez, Daniel G. Chica, Yi Xia, James M. Hodges   +6 more
wiley   +2 more sources

Histatin-5 Improves In Vivo Corneal Wound Healing and Immunohistochemical Neovascular Markers After Acute Alkali Injury. [PDF]

Transl Vis Sci Technol
Son KN, Lee SM, Shah D, Chaudhary M, Ong J, Reinhardt C, Shukla D, Han K, Aakalu VK.   +8 more
europepmc   +1 more source

Autonomous Charging and Battery Swapping for Unmanned Aerial Vehicles: A Review

Advanced Intelligent Systems, EarlyView.
This review evaluates major autonomous charging and battery swapping methods for unmanned aerial vehicles (UAVs) against a single question: how close each is to sustained unattended operation. Rather than ranking them by charging performance, it identifies the limitation that most restricts each method, and briefly outlines the supporting technologies ...
Zelin Wu, Yuanwen Zhang, Xiangdong Meng, Guangyu Zhang, Huiwen Zhang, Yuquan Leng   +5 more
wiley   +1 more source

Effective dose from external radiation and ²²²Rn exhalation of construction materials manufactured with carbonated alkaline waste materials. [PDF]

Environ Sci Pollut Res Int
Suárez-Navarro JA, Moreno-Reyes AM, Expósito-Suárez VM, Guerrero A, Frías M, Hernáiz G, Benavente JF.   +6 more
europepmc   +1 more source

Accidents in the Chemical Industry: A Scoping Review Focused on Causal Factors

American Journal of Industrial Medicine, EarlyView.
ABSTRACT Background Although occupational safety in the chemical industry is an area of ongoing research worldwide, chemical incidents continue to occur, indicating the need to review the causes, assist in safety management, and identify problems in the quality of reporting. Methods A systematic search of studies published in English between January 1,
Željka Babić, Emin Veledar, Zrinka Franić, Franka Šakić, Mojca Dobaja Borak, Lucija Šarc, Jelena Macan, Miran Brvar   +7 more
wiley   +1 more source