Results 201 to 210 of about 52,686 (280)

Raloxifene solubility in supercritical CO₂ and correlation of drug solubility via hybrid machine learning and gradient based optimization. [PDF]

Sci Rep
Alotaibi HF, Hsu CY, Sead FF, Yadav A, Jyothi SR, Mishra S, Purohit B, Ashirova A, Khudayberganov I, Chauhan AS.   +9 more
europepmc   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

Advanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong, Pu Wen, Zhiping Chai, Dunxuan Wu, Han Ding, Zhigang Wu   +5 more
wiley   +1 more source

Minimizing frictional irreversibility in a rough-walled tapered bearing with a nanoparticle-enhanced Sutterby lubricant. [PDF]

Sci Rep
Jazza Y, Hashim, Saqib M, Mousa S.
europepmc   +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

Controllable synthesis of perovskite solid solutions as novel energetic materials <i>via</i> thermodynamic equilibrium. [PDF]

Chem Sci
Li M, Han D, Lin Z, Qi X, Xia H, Wang Z, Zhang Q, Gong J.   +7 more
europepmc   +1 more source

Optimizing syngas production for enhanced gas turbine power generation: A thermodynamic and feedstock analysis

Next Energy
Toyese Oyegoke, Abdullahi Jibrin
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

Paradoxical G-quadruplex distribution in coronavirus genomes reveals functional constraints and antiviral therapeutic opportunities. [PDF]

Virus Res
Tanigawa M, Iwaki T.
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