January 1, 2020Open Access

Active learning and neural network potentials accelerate molecular screening of ether-based solvate ionic liquids

WWWujie WangIntarcia Therapeutics (United States)TYTzuhsiung YangNational Tsing Hua University WHWilliam H. HarrisAmerican Institute of Aeronautics and Astronautics

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Abstract

SILs with higher binding affinity and electrochemical stability than the reference compounds are identified. Lastly, their properties are related to the geometry of the coordination sphere.

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Wang et al. (Wed,) studied this question.

synapsesocial.com/papers/6a03a6488f0a30f897855f8b https://doi.org/https://doi.org/10.1039/d0cc03512b

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