Jiawei Peng

7PUBLICATIONS
48CO-AUTHORS
Computational chemistryStatistical mechanics in chemistryIntegrable systems (classical and quantum)Mathematical aspects of classical mechanics, quantum mechanics and quantum information theoryPhotonics, optoelectronics and optical communications
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Publications (7)

|Jul 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

|Feb 04, 2025
ML-MCTDH-Aid: An auxiliary package for multilayer multiconfiguration time-dependent Hartree calculations.

Jie Zheng, Yu Xie, Jiawei Peng

|Sep 26, 2024
mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics.

Weizhong Guan, Peng Bao, Jiawei Peng

|Jun 17, 2024
The development of the QM/MM interface and its application for the on-the-fly QM/MM nonadiabatic dynamics in JADE package: Theory, implementation, and applications.

Haiyi Huang, Jiawei Peng, Yulin Zhang

|Jun 10, 2024
The photodissociation dynamics and ultrafast electron diffraction image of cyclobutanone from the surface hopping dynamics simulation.

Jiawei Peng, Hong Liu, Zhenggang Lan

|Mar 13, 2024
On-the-fly simulation of time-resolved fluorescence spectra and anisotropy.

Chao Xu, Congru Lin, Jiawei Peng

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Frequent Collaborators

7 joint publications

Zhenggang Lan

2 joint publications

Hong Liu

2 joint publications

Qiang Shi

2 joint publications

Chao Xu