April 17, 2024 - ExploTec

April 2024

Anomalous superionic conductivity in van der Waals lithium thiophosphates induced by means of interlayer molecules

Energy Environ. Sci., 2024, Advance ArticleDOI: 10.1039/D4EE00500G, Paper Jianing Liang, Yu Wu, Zongdong Sun, Cheng Zeng, Youwen Liu, Yinghe Zhao, Tianyou Zhai, Huiqiao LiLayered LiInP2S6 can trigger an anomalous superionic conductivity of 5.3 × 10−3 S cm−1 in a solid hydrated phase by interlayer molecules uptake,

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Multi-task scattering-model classification and parameter regression of nanostructures from small-angle scattering information

Digital Discovery, 2024, 3,694-704DOI: 10.1039/D3DD00225J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Batuhan Yildirim, James Doutch, Jacqueline M. ColeMachine learning (ML) can be employed at the data-analysis stage of small-angle scattering (SAS) experiments.The content of this RSS

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Inverse design of steel–natural frameworks for direct air seize of CO2via deep reinforcement studying

Digital Discovery, 2024, 3,728-741DOI: 10.1039/D4DD00010B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Hyunsoo Park, Sauradeep Majumdar, Xiaoqi Zhang, Jihan Kim, Berend SmitA reinforcement learning framework enables the design and discovery of novel metal–organic frameworks (MOFs) for direct

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Predicting small molecules solubility on endpoint units the use of deep ensemble neural networks

Digital Discovery, 2024, 3,786-795DOI: 10.1039/D3DD00217A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Mayk Caldas Ramos, Andrew D. WhiteWe propose a new way of deploying deep learning models to improve reproducibility and usability, making predictions with uncertainty.The content

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The way forward for self-driving laboratories: from human within the loop interactive AI to gamification

Digital Discovery, 2024, 3,621-636DOI: 10.1039/D4DD00040D, Perspective Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Holland Hysmith, Elham Foadian, Shakti P. Padhy, Sergei V. Kalinin, Rob G. Moore, Olga S. Ovchinnikova, Mahshid AhmadiSelf-driving laboratories (SDLs) are the future for scientific

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Gotta be SAFE: a brand new framework for molecular design

Digital Discovery, 2024, 3,796-804DOI: 10.1039/D4DD00019F, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Emmanuel Noutahi, Cristian Gabellini, Michael Craig, Jonathan S. C. Lim, Prudencio TossouSAFE is a novel SMILES-compatible, fragment-based molecular line notation that streamlines molecule generation tasks.

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