Code, data and analysis of results for the paper: "Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes" ACS Cent. Sci. 4, 996 (2018)
The scikit-learn machine learning library is used for regression models for anisotropic material screening. The data-gen folder contains the codes for organization of data into different symmetry classes and regression models.
If you find this repository useful in your research, please cite:
@article{ahmad2018machine,
doi = {10.1021/acscentsci.8b00229},
url = {https://doi.org/10.1021/acscentsci.8b00229},
year = {2018},
month = aug,
publisher = {American Chemical Society ({ACS})},
volume = {4},
number = {8},
pages = {996--1006},
author = {Zeeshan Ahmad and Tian Xie and Chinmay Maheshwari and Jeffrey C. Grossman and Venkatasubramanian Viswanathan},
title = {Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes},
journal = {{ACS} Cent. Sci.}
}