Efficient solving of Schrödinger equation using deep convolutional neural network model with an attention mechanism and transfer learning

Efficient solving of Schrödinger equation using deep convolutional neural network model with an attention mechanism and transfer learning

We have developed a deep convolutional neural network integrated with attention mechanisms to directly process two-dimensional stochastically constrained electrostatic potentials, and established an end-to-end mapping from electrostatic potentials to ground-state energy. Compared with existing metho...

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Bibliographic Details
Main Authors: Ziyi Zhao, Shishun Zhao, Mingjun Zhou, Yujun Yang
Format: Article
Language:English
Published: IOP Publishing 2025-01-01
Series:Machine Learning: Science and Technology
Subjects:
Schrödinger equation
ground-state energy
convolutional neural network
channel-spatial attention
fine-tuning strategy
Online Access:https://doi.org/10.1088/2632-2153/adeef9
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https://doi.org/10.1088/2632-2153/adeef9

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