Fenglong Gu

33PUBLICATIONS
47CO-AUTHORS
Fluid-structure interaction and aeroacousticsTheoretical quantum chemistryMetal organic frameworksFunctional materialsMathematical aspects of classical mechanics, quantum mechanics and quantum information theory
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Publications (33)

|Oct 23, 2026
Head Group-Induced Interfacial Water Rearrangement during Demulsification: A Study at the Molecular Level.

|Dec 29, 2025
Understanding of molecular motions in nonadiabatic photoisomerization dynamics of cis-stilbene with on-the-fly simulation of transient absorption pump-probe spectra.

Juanjuan Zhang, Hangxu Liu, Congru Lin

|Nov 20, 2025
Electronic Excitation Energy Calculations with Configuration Interaction Based on Nonorthogonal Localized Molecular Orbitals.

Feng Long Gu, Daoling Peng, Liang Peng

|Jun 10, 2025
Theoretical prediction of pressure-stabilized all-nitrogen N12 molecular crystals with π-π stacking.

Lei Zhao, Zelin Ma, Daoling Peng

|Feb 19, 2025
Nonlinear Optics Materials Designed by Intramolecular Boron- and Nitrogen-Locking Strategies: Exploring Torsion Angle Descriptors.

Bo Li, Shichen Lin, Feng Long Gu

|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

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Frequent Collaborators

8 joint publications

Zhenggang Lan

6 joint publications

Bo Li

5 joint publications

Chaoyuan Zhu

5 joint publications

Chao Xu