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Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00249G, Review Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Stuart C. Smith, Christopher S. Horbaczewskyj, Theo F. N. Tanner, Jacob J. Walder, Ian J. S. FairlambThis review discusses the use of automation
Die IG Metall und die Deutsche Umwelthilfe fordern den Ausbau von Produktionskapazitäten in Europa und faire Arbeitsbedingungen.
Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00007B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Friedrich Hastedt, Rowan Mark Bailey, Klaus Hellgardt, Sophia Yaliraki, Antonio Del Rio Chanona, Dongda ZhangMachine learning models for chemical retrosynthesis have attracted substantial
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00079J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Mario Negovetić, Erik Otović, Daniela Kalafatovic, Goran MaušaEfficient feature extraction and selection from SMILES format of large AMP and small CAT dataset for ML-based
Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00031E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kamal Choudhary, Kevin GarrityWe introduce a computational framework (InterMat) to predict band offsets of semiconductor interfaces using density functional theory (DFT) and graph neural
Energy Environ. Sci., 2024, Accepted ManuscriptDOI: 10.1039/D4EE01497A, PaperDechao Meng, Zhichen Xue, Guokang Chen, Dengke Zhou, Yushi He, Zi-Feng Ma, Yijin Liu, Linsen LiFast-charging lithium-ion batteries provide a promising solution to addressing the range anxiety of electric vehicles (EVs) but they face challenges in durability and
Energy Environ. Sci., 2024, Accepted ManuscriptDOI: 10.1039/D4EE01483A, PaperKun Dang, Lei Wu, Siqin Liu, Hongwei Ji, Chuncheng Chen, Yuchao Zhang, Jincai ZhaoPhotoelectrochemical (PEC) direct ammonia oxidation presents a sustainable alternative to the industrial production of nitrate or nitrite (NOx−), while the highly selective NOx− synthesis remains