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https://scholarbank.nus.edu.sg/handle/10635/238634
Title: | IMPLICIT NEURAL CONFIGURATION INTERACTION | Authors: | SHI ZEKUN | ORCID iD: | orcid.org/0009-0001-2090-669X | Keywords: | machine learning, deep learning, AI for science, computational quantum chemistry, configuration interaction, quantum monte carlo | Issue Date: | 9-Jan-2023 | Citation: | SHI ZEKUN (2023-01-09). IMPLICIT NEURAL CONFIGURATION INTERACTION. ScholarBank@NUS Repository. | Abstract: | We propose a novel quantum Monte Carlo approach that combines the two orthogonal approaches for capturing correlation, namely Configuration Interaction (CI) and Generalized Slater Determinant (GSD), where both the coefficients and the basis are variational and are capable of capturing correlation, thus connecting the two distinct approaches. Moreover, this approach can be easily combined with future improvements in constructing better GSD ansatz. | URI: | https://scholarbank.nus.edu.sg/handle/10635/238634 |
Appears in Collections: | Master's Theses (Open) |
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