Neural network matrix product operator: A multi-dimensionally integrable machine learning potential
A neural network-based machine learning potential energy surface (PES) expressed in a matrix product operator (NN-MPO) is proposed. The MPO form enables efficient evaluation of high-dimensional integrals that arise in solving the time-dependent and time-independent Schrödinger equation, and effectiv...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2025-06-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.7.023217 |
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