A high-throughput framework for determining adsorption energies on solid surfaces
Surface chemistry: an automatic sense of attraction An automated procedure for determining the energy required for a molecule to adhere to a surface is developed by researchers in the United States. Joseph Montoya from the Lawrence Berkeley National Laboratory and Kristin Persson from the University...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2017-03-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-017-0017-z |