Results 51 to 60 of about 35,349 (187)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

In Situ Polymerized Composite Electrolytes for High‐Performance Solid‐State Lithium Batteries: A Review

Advanced Science, EarlyView.
This review systematically explores the recent advances in in situ polymerized composite polymer electrolytes (CPEs) for solid‐state lithium batteries. It covers the fundamentals of reaction mechanisms, monomer chemistry, and their impact on interfacial stability, ionic conductivity, and electrochemical performance.
Jialin Li, Yufen Yan, Xiaoju Wang, Yuhui Huang, Zhen Huang, Lingjie Zhang, Ningzhong Bao, Zijian Hong, Yongjun Wu, Dali Ji   +9 more
wiley   +1 more source

Operando X‐Ray Diffraction and Total Scattering Characterization of Battery Materials: Not Just a Pretty Picture

Advanced Energy Materials, EarlyView.
This review focuses on operando studies of battery materials by X‐ray diffraction (XRD) and total X‐ray scattering (TXS). This work highlights potential pitfalls and identify best‐practices for operando studies and reviews some unusual experiments to illustrate how these methods can be applied beyond the evaluation of the early‐stage cycling mechanisms
Amalie Skurtveit, Eira Tiberg North, Izar Capel Berdiell, Wouter Van Beek, David S. Wragg, Alexey Y. Koposov   +5 more
wiley   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

Climate Change Mitigation in the Dairy Sector: Uncovering Heterogeneity Through Eco‐Efficiency Clubs

Agribusiness, EarlyView.
ABSTRACT Combining climate change goals with economic targets is crucial for the dairy sector, which is a significant contributor to agricultural greenhouse gas (GHG) emissions worldwide. In this paper, we assess economic and climate change implications of dairy production with panel data of Irish dairy farms from 2013 to 2021.
Doris Läpple, Christian Stetter, Cathal Buckley   +2 more
wiley   +1 more source

How Competitive Is Myanmar's Rice Sector? A Comparison of Production Costs and Efficiency

Agribusiness, EarlyView.
ABSTRACT This paper analyzes the cost competitiveness of rice production in Myanmar by examining production costs, cost efficiency, and the potential effect of improving cost efficiency on the country's global competitiveness. To achieve this, we conduct a comparative analysis of production costs among major rice‐producing countries and estimate the ...
Nandar Aye Chan, Orkhan Sariyev, Mohammad Ariful Islam, Manfred Zeller   +3 more
wiley   +1 more source

AI in chemical engineering: From promise to practice

AIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

Application of Neural Networks for Advanced Ir Spectroscopy Characterization of Ceria Catalysts Surfaces

Advanced Intelligent Discovery, EarlyView.
A novel convolutional neural network architecture enables rapid, unsupervised analysis of IR spectroscopic data from DRIFTS and IRRAS. By combining synthetic data generation with parallel convolutional layers and advanced regularization, the model accurately resolves spectral features of adsorbed CO, offering real‐time insights into ceria surface ...
Mehrdad Jalali, Lachlan Caulfield, Eric Sauter, Alexei Nefedov, Chengwu Yang, Christof Wöll   +5 more
wiley   +1 more source

Artificial Intelligence for Bone: Theory, Methods, and Applications

Advanced Intelligent Discovery, EarlyView.
Advances in artificial intelligence (AI) offer the potential to improve bone research. The current review explores the contributions of AI to pathological study, biomarker discovery, drug design, and clinical diagnosis and prognosis of bone diseases. We envision that AI‐driven methodologies will enable identifying novel targets for drugs discovery. The
Dongfeng Yuan, Haicang Zhang, Liping Tong, Di Chen   +3 more
wiley   +1 more source

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

Advanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai   +4 more
wiley   +1 more source