Dataset and Metadata - Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach

Dataset and metadata for "Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach" - Phillip Pope and David Jacobs (Neurips 2023)

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@inproceedings{NEURIPS2023_be82bb4b,
author = {Pope, Phillip and Jacobs, David},
booktitle = {Advances in Neural Information Processing Systems},
editor = {A. Oh and T. Naumann and A. Globerson and K. Saenko and M. Hardt and S. Levine},
pages = {60585--60598},
publisher = {Curran Associates, Inc.},
title = {Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach},
url = {https://proceedings.neurips.cc/paper_files/paper/2023/file/be82bb4bf8333107b0fe430e1017831a-Paper-Conference.pdf},
volume = {36},
year = {2023}
}