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Gaussian Processes for Finite Size Extrapolation of Many-Body Simulations

Faraday Discuss., 2024, Accepted Manuscript DOI: 10.1039/D4FD00051J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Edgar Josue Landinez-Borda, Kenneth O. Berard, Annette Lopez, Brenda M Rubenstein Key to being able to accurately model the properties of realistic materials is being able to predict...

Mon Mar 25, 2024 18:37
Linear ether-based highly concentrated electrolytes for Li-sulfur batteries

Faraday Discuss., 2024, Accepted Manuscript DOI: 10.1039/D4FD00024B, PaperToru Ishikawa, Shohei Haga, Keisuke Shigenobu, Taku Sudoh, Seiji Tsuzuki, Wataru Shinoda, Kaoru Dokko, Masayoshi Watanabe, Kazuhide Ueno Li-S batteries have attracted attention as next-generation rechargeable batteries owing to their high theoretical capacity and cost-effectiveness....

Mon Mar 25, 2024 18:37
Electric Field Induced Associations in the Double Layer of Salt-in-Ionic-Liquid Electrolytes

Faraday Discuss., 2024, Accepted Manuscript DOI: 10.1039/D4FD00021H, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Daniel M. Markiewitz, Zachary Goodwin, Michael McEldrew, J. Pedro de Souza, Xuhui Zhang, Rosa Maria Espinosa-Marzal, Martin Z. Bazant Ionic liquids (ILs) are an extremely...

Sat Mar 23, 2024 05:45
Wave mechanics in an ionic liquid mixture

Faraday Discuss., 2024, Accepted Manuscript DOI: 10.1039/D4FD00040D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Timothy Groves, Susan Perkin Experimental measurements of interactions in ionic liquids and concentrated electrolytes over the past decade or so have revealed simultaneous monotonic...

Sat Mar 23, 2024 05:45
Challenges with relativistic GW calculations in solids and molecules

Faraday Discuss., 2024, Accepted Manuscript DOI: 10.1039/D4FD00043A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Harsha Gaurav, Abraham Vibin, Dominika Zgid For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic...

Wed Mar 20, 2024 22:51
Machine Learning-Driven Investigation of the Structure and Dynamics of the BMIM-BF₄ Room Temperature Ionic Liquid

Faraday Discuss., 2024, Accepted Manuscript DOI: 10.1039/D4FD00025K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Fabian Zills, Moritz René Schäfer, Samuel Tovey, Johannes Kästner, Christian Holm Room-temperature ionic liquids are an exciting group of materials with the potential to revolutionize...

Tue Mar 19, 2024 22:47

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