Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces
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This is the data file associated with the publication: Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces, https://doi.org/10.48550/arXiv.2510.01042. The Jupyter notebooks contained in notebooks.tar.gz are also available at: https://github.com/eisenforschung/SMILE
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Edmond创建时间：
2025-10-07
