Quantum-chemical insights from deep tensor neural networks
Machine learning is an increasingly popular approach to analyse data and make predictions. Here the authors develop a ‘deep learning’ framework for quantitative predictions and qualitative understanding of quantum-mechanical observables of chemical systems, beyond properties trivially contained in t...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2017-01-01
|
| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/ncomms13890 |