120 citations · 464 across the 13 of their papers we have counts for
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A Forecasting System of Computational Time of DFT/TDDFT Calculations under the Multiverse ansatz via Machine Learning and Cheminformatics
Shuo Ma, Yingjin Ma, Baohua Zhang +2
A top-level designed forecasting system for predicting computational times of density-functional theory (DFT)/time-dependent density-functional theory (TDDFT) calculations is prese…
Multi-Reference Epstein-Nesbet Perturbation Theory with Density Matrix Renormalization Group Reference Wavefunction
Yinxuan Song, Yifan Cheng, Yingjin Ma +1
The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a p…
Approximate analytical gradients and nonadiabatic couplings for the state-average density matrix renormalization group self-consistent field method
Leon Freitag, Yingjin Ma, Alberto Baiardi +2
We present an approximate scheme for analytical gradients and nonadiabatic couplings for calculating state-average density matrix renormalization group self-consistent-field wavefu…