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Software and Datasets for "Accelerating Electronic Stopping Power Predictions by 10 Million Times with a Combination of Time-Dependent Density Functional Theory and Machine Learning"

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Mendeley Data2024-02-29 更新2024-06-30 收录
下载链接:
https://www.materialsdatafacility.org/detail/rtdftplusai_v1.1
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资源简介:
The software associated with a publication showing how to quickly assess the electronic stopping power of a material using a combination of simulation and machine learning. This publication is a snapshot of [our GitHub repository](https://github.com/globus-labs/stopping-power-ml/tree/mdfv231027) including the intermediate files used to communicate between each notebook.
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2024-02-29
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