An accurate full-dimensional interaction potential energy surface of CO2+N2 incorporating ∆-machine learning approach via permutation invariant polynomial-neural network
The interaction between CO2 and N2, both as essential components of the Earth’s atmosphere, plays a crucial role in investigating the greenhouse effect. In this work, we sampled 40,930 data points within the full-dimensional configuration space of CO2 and N2 and performed calculations at the level o...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-12-01
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| Series: | Artificial Intelligence Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949747723000192 |