Jitai Yang

6PUBLICATIONS
11CO-AUTHORS
Electronic and magnetic properties of condensed matter; superconductivityPhotonics, optoelectronics and optical communicationsCondensed matter modelling and density functional theoryChemical thermodynamics and energeticsElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (6)

|Oct 04, 2026
Disentangling cation-polyanion coupling reveals which anion motion dominates cation transport in solid electrolytes.

|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 01, 2024
A rotational/roto-translational constraint method for condensed matter.

Jitai Yang, Ke Li, Jia Liu

|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

|Mar 06, 2023
Charge fluctuation drives anion rotation to enhance the conductivity of Na11M2PS12 (M = Si, Ge, Sn) superionic conductors.

Liangyu Hu, Jitai Yang, Yu Zhai

|Dec 21, 2021
Quantum vibration perturbation approach with polyatomic probe in simulating infrared spectra.

Yang Cong, Yu Zhai, Jitai Yang

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Frequent Collaborators

6 joint publications

Hui Li

4 joint publications

Yu Zhai

2 joint publications

You Li

2 joint publications

Ke Li