You Li

6PUBLICATIONS
6CO-AUTHORS
Theoretical quantum chemistryNumerical solution of differential and integral equationsStatistical mechanics in chemistryPhotonics, optoelectronics and optical communicationsChemical thermodynamics and energetics
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Publications (6)

|May 26, 2026
Constructing Spectroscopic-Accuracy Potential Energy Surfaces beyond CCSD(T) via Active and Transfer Learning: A Case Study of H<sub>2</sub>O-Ne.

|Apr 16, 2026
Using Weighted and Chopped Rectangular Collocation Methods with Tensor-Product Contracted Bases To Compute Vibrational Spectra: Avoiding Quadrature.

|Mar 26, 2025
Applying the active learning strategy to the construction of full-dimensional neural network potential energy surfaces: Critical tests in H2O-He spectroscopic calculation.

You Li, Xiao-Long Zhang, Hui Li

|Nov 29, 2024
Revealing the Ultrafast Energy Transfer Pathways in Energetic Materials: Time-Dependent and Quantum State-Resolved.

Jia Liu, Jitai Yang, Gangbei Zhu

|Aug 31, 2023
Machine Learning Approach Based on a Range-Corrected Deep Potential Model for Efficient Vibrational Frequency Computation.

Jitai Yang, Yang Cong, You Li

|Feb 24, 2023
MLRNet: Combining the Physics-Motivated Potential Models with Neural Networks for Intermolecular Potential Energy Surface Construction.

You Li, Yu Zhai, Hui Li

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Frequent Collaborators

5 joint publications

Hui Li

2 joint publications

Yu Zhai

2 joint publications

Jitai Yang

1 joint publications

Jia Liu