Wei Guo

20PUBLICATIONS
25CO-AUTHORS
Theoretical quantum chemistryMetal organic frameworksComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Nonlinear optics and spectroscopyRadiation and matter
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Publications (20)

|Mar 27, 2026
Thermal Decomposition Simulations of Hydroxylamine Pentazolate With Deep Neural Network Potential.

Guozhen Sheng, Caimu Wang, Jiao Zhang

|Mar 18, 2026
The thermal decomposition mechanism of energetic cyclopentazolate salt N<sub>2</sub>H<sub>5</sub>N<sub>5</sub>: a deep neural network potential accelerated molecular dynamics study.

Jiao Zhang, Caimu Wang, Renyi Li

|Feb 24, 2026
Multiscale Mechanisms of Adsorbed Water in Desensitizing Energetic Material NTO: A Combined Computational and Experimental Unraveling.

Caimu Wang, Haohan Sun, Jie Ren

|Dec 17, 2025
Ultrafast dissociation dynamics of nitromethane: Enhanced efficiency under near-infrared vs ultraviolet excitation.

Yanjie Huang, Yamei Zhou, Danyang Zhang

|Sep 27, 2024
Detonation performance and shock sensitivity of energetic material NTO with embedded small molecules: a deep neural network potential accelerated molecular dynamics study.

Caimu Wang, Jidong Zhang, Wei Guo

|Sep 04, 2024
Design and screening of bimetallic catalysts for nitric oxide reduction by CO: a study of kinetic Monte Carlo simulation based on first-principles calculations.

Caimu Wang, Renyi Li, Wei Guo

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Frequent Collaborators

5 joint publications

Yugui Yao

3 joint publications

Ruibin Liu

3 joint publications

Renyi Li

3 joint publications

Yeliang Wang