Chungen Liu

Nanjing University — China

Physics and Astronomy · Physical Sciences

18h-index1.4kcitations62works3.22yr avg
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Research Topics

Advanced Chemical Physics Studies(18), Spectroscopy and Quantum Chemical Studies(17), Molecular Junctions and Nanostructures(7), Synthesis and Properties of Aromatic Compounds(6), Organic Electronics and Photovoltaics(5)

Publications62 total

Asymmetric Electronic Distribution at Mn–Cu Dual Atomic Sites Promoting Electrochemical Conversion of N <sub>2</sub> to NH <sub>3</sub>
Angewandte Chemie International Edition·2025· 3 cited
Asymmetric Electronic Distribution at Mn–Cu Dual Atomic Sites Promoting Electrochemical Conversion of N <sub>2</sub> to NH <sub>3</sub>
Angewandte Chemie·2025
A direct diabatic states construction method with consistent orbitals for valence and Rydberg states
The Journal of Chemical Physics·2025
Unveiling the intermediate hydrated proton in water through vibrational analysis on the 1750 cm−1 signature
Nature Communications·2025Open Access
A Direct Diabatic States Construction Method with Consistent Orbitals for Valence and Rydberg States
arXiv (Cornell University)·2025Open Access
An iterative and automatic collective variable optimization scheme via unsupervised feature selection with CUR matrix decomposition
The Journal of Chemical Physics·2025
Constant-Potential Machine Learning Molecular Dynamics Simulations Reveal Potential-Regulated Cu Cluster Formation on MoS<sub>2</sub>
The Journal of Physical Chemistry C·2025· 7 cited
Constant-Potential Machine Learning Molecular Dynamics Simulations Reveal Potential-Regulated Cu Cluster Formation on MoS$_{2}$
arXiv (Cornell University)·2024· 2 citedOpen Access
Deciphering the Vibrational Features of Hydrated Proton in Water
2024Open Access
Kylin-V: An open-source package calculating the dynamic and spectroscopic properties of large systems
The Journal of Chemical Physics·2024· 4 cited
Ground states of a coupled pseudo-relativistic Hartree system: existence and concentration behavior
arXiv (Cornell University)·2024Open Access
Synergistic Al−Al Dual‐Atomic Site for Efficient Artificial Nitrogen Fixation
Angewandte Chemie·2024· 5 citedOpen Access
Synergistic Al−Al Dual‐Atomic Site for Efficient Artificial Nitrogen Fixation
Angewandte Chemie International Edition·2024· 23 citedOpen Access
Spin-Adapted Externally Contracted Multireference Configuration Interaction Method Based on Selected Reference Configurations
The Journal of Physical Chemistry A·2024· 4 cited
Ground States of a Coupled Pseudo-Relativistic Hartree System: Existence and Concentration Behavior
SSRN Electronic Journal·2024Open Access
Mechanistic Insights into Water Autoionization through Metadynamics Simulation Enhanced by Machine Learning
Physical Review Letters·2023· 17 cited
Benzo[<i>g</i>]quinoxaline-Based Complexes [Ir(pbt)<sub>2</sub>(dppn)]Cl and [Ir(pt)<sub>2</sub>(dppn)]Cl: Modulation of Photo-Oxidation Activity and Light-Controlled Luminescence
Inorganic Chemistry·2023· 3 cited
Hierarchical Mapping for Efficient Simulation of Strong System-Environment Interactions
Journal of Chemical Theory and Computation·2023· 13 cited
Visualization of electron density changes along chemical reaction pathways
Figshare·2023Open Access
Predicting the Stability and Loading for Electrochemical Preparation of Single-Atom Catalysts
ACS Catalysis·2022· 14 cited
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Frequent Co-authors

Yuansheng Jiang(17), Haibo Ma(15), Ling Liu(7), Zexing Qu(6), Xing‐Hua Xia(6), Yuyang Liu(4), Dawei Zhang(4), Jing Ma(4), Jingwen Zhou(4), Shuhua Li(3), Sudip Biswas(3), Peixin Cui(3), Xiaoyu Xie(2), Dong‐Rui Yang(2), Kai Wang(2), Wei Huang(2), Yi Gao(2), Fangjia Fu(2), Kang Liao(2), Wei Li(2)