Article ; Online: Enhancing the Performance of Global Optimization of Platinum Cluster Structures by Transfer Learning in a Deep Neural Network.
Journal of chemical theory and computation
2023 Volume 19, Issue 6, Page(s) 1922–1930
Abstract: The global optimization of metal cluster structures is an important research field. The traditional deep neural network (T-DNN) global optimization method is a good way to find out the global minimum (GM) of metal cluster structures, but a large number ... ...
Abstract | The global optimization of metal cluster structures is an important research field. The traditional deep neural network (T-DNN) global optimization method is a good way to find out the global minimum (GM) of metal cluster structures, but a large number of samples are required. We developed a new global optimization method which is the combination of the DNN and transfer learning (DNN-TL). The DNN-TL method transfers the DNN parameters of the small-sized cluster to the DNN of the large-sized cluster to greatly reduce the number of samples. For the global optimization of Pt |
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Language | English |
Publishing date | 2023-03-14 |
Publishing country | United States |
Document type | Journal Article |
ISSN | 1549-9626 |
ISSN (online) | 1549-9626 |
DOI | 10.1021/acs.jctc.2c00923 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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