Xiang-Yang Liu
24PUBLICATIONS
9CO-AUTHORS
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Publications (24)
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|Apr 11, 2026
Accelerating Excited-State Calculations of Large Systems with Restricted Boltzmann Machines.Xiang-Yang Liu, Sheng-Rui Wang, Dong-Yi Xiao
|Jan 03, 2026
Accurate Prediction of Excited-State Energies from Molecular Orbital Energies Based on Graph Neural Network with Transfer Learning.Dongyi Xiao, Sheng-Rui Wang, Xiang-Yang Liu
|Sep 08, 2025
Machine Learning Parameters of Optimally Tuned Range-Separated Hybrid Functionals for Transition Metal Complexes.Xiang-Yang Liu, Qing-Xin Xiang, Sheng-Rui Wang
|Sep 04, 2025
Excited-State Wave Functions and Energies Predicted by Machine Learning Based on Graph Neural Networks.Xiang-Yang Liu, Dongyi Xiao, Wei-Hai Fang
|Jul 08, 2025
Symmetry Breaking and Solvent Effects Regulated Photoinduced Dynamics in the PDI Dimer Linked via the Imide N-Position: A Nonadiabatic Dynamics Simulation.Gao-Yi Li, Xin Wei, Hao Zhong
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