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add abbreviations
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mshuaibii authored Nov 18, 2024
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## Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models
![summary figure](co2rr_summary_figure.png)
In this work, we seek to directly bridge the gap between computational descriptors and experimental outcomes for heterogeneous catalysis. We consider two important green chemistries: the hydrogen evolution reaction and the electrochemical reduction of carbon dioxide. To do this, we created a curated dataset of experimental results with materials synthesized and tested in a reproducible manner under industrially relevant conditions. We used this data to build models to directly predict experimental outcomes using computational features. For more information, please read the manuscript [paper](???).
In this work, we seek to directly bridge the gap between computational descriptors and experimental outcomes for heterogeneous catalysis. We consider two important green chemistries: the hydrogen evolution reaction (HER) and the electrochemical reduction of carbon dioxide (CO2RR). To do this, we created a curated dataset of experimental results with materials synthesized and tested in a reproducible manner under industrially relevant conditions. We used this data to build models to directly predict experimental outcomes using computational features. For more information, please read the manuscript [paper](???).

### Datasets
All computational and experimental datasets can be accessed [here](data/).
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