This dataset can be downloaded from within HTP-MD, an open-source web application for interacting with extracted and predicted properties based on raw molecular dynamics trajectory data of polymer systems containing Li-TFSI salts. HTP-MD contains data from MD simulations of 5962 polymer-salt systems.
If using this dataset in a publication, please cite:
Tian Xie, Ha-Kyung Kwon, Daniel Schweigert, Sheng Gong, Arthur France-Lanord, Arash Khajeh, Emily Crabb, Michael Puzon, Chris Fajardo, Will Powelson, Yang Shao-Horn, Jeffrey C. Grossman, A cloud platform for sharing and automated analysis of raw data from high throughput polymer MD simulations. APL Mach. Learn. 1 December 2023; 1 (4): 046108.
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