Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics

Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse Ansatz via Machine Learning and Cheminformatics

Bibliographic Details
Main Authors: Shuo Ma, Yingjin Ma, Baohua Zhang, Yingqi Tian, Zhong Jin
Format: Article
Language:English
Published: American Chemical Society 2021-01-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.0c04981

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