Xiang-Yang Liu

27PUBLICATIONS
9CO-AUTHORS
Theoretical quantum chemistryOptimisationHydrometallurgyPhotochemistryElemental semiconductors
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Publications (27)

|Oct 29, 2026
Machine-Learning-Assisted Tuning of Exchange-Correlation Functional Parameters for the eXact-Integral Simplified Tamm-Dancoff Approximation Method.

|Oct 23, 2026
Extrapolating Molecular Correlation Energies to the Complete Basis Set Limit with Symbolic Regression.

|Sep 10, 2026
Molecular Architecture and Solvent Effects on Photoinduced Dynamics in TPPS-PDI, (TPPS)2, and (PDI)2 Dimers: A Nonadiabatic Dynamics Study.

|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

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Frequent Collaborators

23 joint publications

Ganglong Cui

14 joint publications

Wei-Hai Fang

8 joint publications

Laicai Li

1 joint publications

Alexey V Akimov