Results 141 to 150 of about 26,300 (238)

Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion

Advanced Intelligent Discovery, EarlyView.
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley   +1 more source

Interfacial Stability and Design Strategies for Halide Solid Electrolytes in High-Voltage All-Solid-State Sodium-Ion Batteries. [PDF]

Small Methods
Jang M, Kwon E, Jeon C, Kim S, Yu S.
europepmc   +1 more source

THEREDA – Thermodynamic Reference Database

, 2013
Moog, H. C., Bok, F.
openaire   +1 more source

TEFIS database. Thermodynamic functions of substances

Keldysh Institute Preprints, 2018
Alexander Alexandrovich Belov, Roman Viacheslavovich Golovanov, Nikolaj Nikolaevich Kalitkin, Ivan Alekseevich Kozlitin, Pavel Vladimirovich Koriakin, Larisa Vladimirovna Kuzmina   +5 more
openaire   +1 more source

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

Advanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

Computational Optimization of CRISPR-Cas13a sgRNAs Targeting the SARS-CoV-2 Spike Gene for SHERLOCK-Based Diagnostics. [PDF]

Evol Bioinform Online
Ahmadzadeh M, Akbarian F, Sanati MH, Motaharirad H, Farrokhi F.   +4 more
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

Comparative Assessment of Statistical and Thermodynamic Prediction Methods for Solvate Formation: A Case Study with Curcumin and Its Derivatives. [PDF]

Cryst Growth Des
Ticona-Chambi J, Choquesillo-Lazarte D, Cuffini SL, Infantes L.   +3 more
europepmc   +1 more source

Advances in Thermal Modeling and Simulation of Lithium‐Ion Batteries with Machine Learning Approaches

Advanced Intelligent Discovery, EarlyView.
Heat generation in lithium‐ion batteries affects performance, aging, and safety, requiring accurate thermal modeling. Traditional methods face efficiency and adaptability challenges. This article reviews machine learning‐based and hybrid modeling approaches, integrating data and physics to improve parameter estimation and temperature prediction ...
Qi Lin, Kang Fu, Junjie Ding, Kai Sun, Peng Tan   +4 more
wiley   +1 more source

Higher-Order Correlations Between Thermodynamic Fluctuations in Compressible Aerodynamic Turbulence. [PDF]

Entropy (Basel)
Gerolymos GA, Vallet I.
europepmc   +1 more source