@inproceedings{towardscombinatorialgeneralizationfor, title = {Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach}, year = {2023}, booktitle = {NeurIPS 2023 11}, eprint = {2310.18702}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2310.18702v1}, }