Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility
oleh: Geun Ho Gu, Miriam Lee, Yousung Jung, Dionisios G. Vlachos
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2022-04-01 |
Deskripsi
The discovery of heterogeneous catalysts for large molecule conversion has been lagging due to the combinatorial inventory of intermediates. Here, the author presents an automated framework to explore the chemical space of reaction intermediates.