Causal Relationship between Potential Shift and Molecular Structure in Concentrated Electrolytes

Understanding the origin of potential shifts in concentrated electrolytes is crucial for the design of stable and high-energy-density lithium–metal batteries. In our previous work, we identified a strong correlation between experimental electrode potential and Li<sup>+</sup>–anion intera...

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Main Author:	Yumika Yokoyama (18422218) (author)
Other Authors:	Kou Nakamura (22482178) (author), Naoto Tanibata (4108045) (author), Hayami Takeda (4543633) (author), Masayuki Karasuyama (9925685) (author), Ryo Kobayashi (341637) (author), Norio Takenaka (1426843) (author), Atsuo Yamada (795150) (author), Masanobu Nakayama (1417912) (author)
Published:	2025
Subjects:	Biophysics Biochemistry Molecular Biology Cancer Computational Biology Environmental Sciences not elsewhere classified Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified various solvent molecules select reduced sets radial distribution functions phase madelung interaction mitigate overfitting due g ., homo dominant factor governing molecular dynamics simulations intrinsic molecular properties gaussian acyclic model direct causal effect experimental electrode potential highly concentrated electrolytes concentrated electrolytes understanding intermolecular descriptors derived lingam analysis revealed high descriptor dimensionality causal discovery methods range ndf descriptors concentrated electrolytes causal discovery molecular structure based model causal relationships causal relationship potential shifts potential shift descriptors associated strong correlation previous work linear non genetic algorithm especially long data set comprehensive set
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Causal Relationship between Potential Shift and Molecular Structure in Concentrated Electrolytes

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