Graph machine learning framework for depicting wavefunction on interface
The wavefunction, as the basic hypothesis of quantum mechanics, describes the motion of particles and plays a pivotal role in determining physical properties at the atomic scale. However, its conventional acquisition method, such as density functional theory, requires a considerable amount of calcul...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2023-01-01
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| Series: | Machine Learning: Science and Technology |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2632-2153/ad0937 |