Results 201 to 210 of about 25,799,601 (304)

Unveiling the Role of Curvature in Carbon for Improved Energy Release of Ammonium Perchlorate

Advanced Materials, EarlyView.
High‐curvature carbon materials identified via machine learning and simulation can enhance the heat release and combustion performance of ammonium perchlorate. ABSTRACT The catalytic role of carbon curvature in the thermal decomposition of ammonium perchlorate (AP) remains largely unexplored. To address this gap, this study employs machine learning and
Dan Liu, Keliang Song, Haorui Zhang, Zhipeng Liu, Guansong He, Junru Wang, Wenming Yang, Xu Zhao, Zhijian Yang   +8 more
wiley   +1 more source

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Journal of Computational Chemistry, 1998
G. Morris, D. Goodsell, R. S. Halliday, R. Huey, W. Hart, R. Belew, A. Olson   +6 more
semanticscholar   +1 more source

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

Advanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll, Ivan Pinto‐Huguet, Enzo Rotunno, Thomas Galvani, Catalina Coll, Payam Habibzadeh Kavkani, Maria Chiara Spadaro, Yann‐Michel Niquet, Martin Børstad Eriksen, Sara Martí‐Sánchez, Georgios Katsaros, Giordano Scappucci, Peter Krogstrup, Giovanni Isella, Andreu Cabot, Gonzalo Merino, Pablo Ordejón, Stephan Roche, Vincenzo Grillo, Jordi Arbiol   +19 more
wiley   +1 more source

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

A Soft Microrobot for Single‐Cell Transport, Spheroid Assembly, and Dual‐Mode Drug Screening

Advanced Materials, EarlyView.
A soft, untethered hydrogel microrobot enables precise single‐cell delivery, self‐assembly into 3D spheroids, and real‐time thermal actuation. Driven by light‐induced convection and embedded with gold nanorods and temperature sensors, the microrobot guides cells, modulates local microenvironments, and supports drug testing.
Philipp Harder, Nergishan İyisan, Yukun Wang, Berna Özkale   +3 more
wiley   +1 more source

Text Mining of CVD Synthesis Recipes for 2D Materials

Advanced Materials, EarlyView.
A lightweight, multi‐stage natural language processing framework utilizes fine‐tuned BERT models to extract chemical vapor deposition synthesis knowledge from diverse 2D materials literature. The domain‐adapted workflow integrates classification, named entity recognition, and extractive question answering to systematically retrieve categorical and ...
Ang‐Yu Lu, Richard A. Chen, Aijia Yao, Meng‐Chi Chen, Ji‐Hoon Park, Tianyi Zhang, Xudong Zheng, Nannan Mao, Jiangtao Wang, Zhien Wang, Tomás Palacios, Jing Kong   +11 more
wiley   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

An empirical model for world record running speeds with distance, age, and sex: anaerobic and aerobic contributions to performance.

J Appl Physiol (1985)
Roy TK, Joyner MJ, Senefeld JW, Wiggins CC, Secomb TW.   +4 more
europepmc   +1 more source

Transistor‐Level Activation Functions via Two‐Gate Designs: From Analog Sigmoid and Gaussian Control to Real‐Time Hardware Demonstrations

Advanced Materials, EarlyView.
Screen gate‐based transistors are presented, enabling tunable analog sigmoid and Gaussian activations. The SA‐transistor improves MRI classification accuracy, while the GA‐transistor supports precise Gaussian kernel tuning for forecasting. Both functions are implemented in a single device, offering compact, energy‐efficient analog AI processing ...
Junhyung Cho, Youngmin Han, Won Woo Lee, Youngwoo Yoo, Kannan Udaya Mohanan, Chang‐Hyun Kim, Junhwan Choi, Young‐Joon Kim, Wonjun Shin, Hocheon Yoo   +9 more
wiley   +1 more source