Architector for high-throughput cross-periodic table 3D complex building
Abstract Rare-earth and actinide complexes are critical for a wealth of clean-energy applications. Three-dimensional (3D) structural generation and prediction for these organometallic systems remains a challenge, limiting opportunities for computational chemical discovery. Here, we introduce Archite...
Main Authors: | , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Nature Portfolio
2023-05-01
|
Series: | Nature Communications |
Online Access: | https://doi.org/10.1038/s41467-023-38169-2 |