Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms

Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms

Bibliographic Details
Main Authors: Saadiallakh Normatov, Pavel V. Nesterov, Timur A. Aliev, Alexandra A. Timralieva, Alexander S. Novikov, Ekaterina V. Skorb
Format: Article
Language:English
Published: American Chemical Society 2025-02-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.4c09861

Internet

https://doi.org/10.1021/acsomega.4c09861

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