Rao Huang

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 16

Top Topics

Molecular Dynamics Simulations

High Efficiency

Walled Carbon Nanotubes

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Wei-Hua Yang, Fang-Qi Yu, Rao Huang, Yu-Xing Lin, Yu-Hua Wen
Effect of composition and architecture on the thermodynamic behavior of AuCu nanoparticles. Nanoscale (2024)
Wei-Hua Yang, Fang-Qi Yu, Rao Huang, Yu-Xing Lin, Yu-Hua Wen
Effect of composition and architecture on the thermodynamic behavior of AuCu nanoparticles. Nanoscale 16 (27) (2024)
Wei-Hua Yang, Fang-Qi Yu, Zi-Wen Guo, Rao Huang, Jun-Ren Chen, Feng-Qiang Gao, Gui-Fang Shao, Tun-Dong Liu, Yu-Hua Wen
Hierarchical structures and magnetism of Co clusters: a perspective from integration of deep learning and a hybrid differential evolution algorithm. Nanoscale (2024)
Kaiwen Huang, Weihua Yang, Lei Li, Yameng Li, Rao Huang, Yu-Hua Wen
NiPd co-doped nitrogen-coordinated graphene as a high-efficiency electrocatalyst for oxygen reduction reactions: a first-principles determination. Physical chemistry chemical physics : PCCP (2023)
Yameng Li, Weihua Yang, Fangqi Yu, Rao Huang, Yu-Hua Wen
Computational determination of a graphene-like TiB 4 monolayer for metal-ion batteries and a nitrogen reduction electrocatalyst. Physical chemistry chemical physics : PCCP (2023)
Yameng Li, Weihua Yang, Fangqi Yu, Rao Huang, Yu-Hua Wen
Computational determination of a graphene-like TiB 4 monolayer for metal-ion batteries and a nitrogen reduction electrocatalyst. Physical chemistry chemical physics : PCCP 25 (10) (2023)
Wei-Hua Yang, Fang-Qi Yu, Rao Huang, Gui-Fang Shao, Tun-Dong Liu, Yu-Hua Wen
Structural Determination and Hierarchical Evolution of Transition Metal Clusters Based on an Improved Self-Adaptive Differential Evolution with Neighborhood Search Algorithm. Journal of chemical information and modeling (2023)
Yu-Hua Wen, Ya-Meng Li, Wei-Hua Yang, Kai-Wen Huang, Rao Huang
Thermally activated microstructural evolution of metallic heterophase nanoparticles: insights from molecular dynamics simulations. Nanoscale 14 (28) (2022)
Tie-Jun Li, Wei-Hua Yang, Jin-Yan Pan, Rao Huang, Gui-Fang Shao, Yu-Hua Wen
Thermally Activated Microstructural Evolution of PtIrCu Alloyed Nanorings: Insights from Molecular Dynamics Simulations. ACS omega 7 (42) (2022)
Wei-Hua Yang, Ya-Meng Li, Jian-Xiang Bi, Rao Huang, Gui-Fang Shao, Tian-E Fan, Tun-Dong Liu, Yu-Hua Wen
An Improved Self-Adaptive Differential Evolution with the Neighborhood Search Algorithm for Global Optimization of Bimetallic Clusters. Journal of chemical information and modeling 62 (10) (2022)
Yameng Li, Lei Li, Rao Huang, Yu-Hua Wen
Computational screening of MBene monolayers with high electrocatalytic activity for the nitrogen reduction reaction. Nanoscale 13 (35) (2021)
Yu-Hua Wen, Lei Li, Ya-Meng Li, Rao Huang
Structural Evolution of the Surface and Interface in Bimetallic High-Index Faceted Heterogeneous Nanoparticles. The journal of physical chemistry letters 12 (9) (2021)
Rao Huang, Jian-Xiang Bi, Lei Li, Yu-Hua Wen
Basin Hopping Genetic Algorithm for Global Optimization of PtCo Clusters. Journal of chemical information and modeling 60 (4) (2020)
Xiwen Chen, Rao Huang, Tien-Mo Shih, Yu-Hua Wen
Shape Stability of Metallic Nanoplates: A Molecular Dynamics Study. Nanoscale research letters 14 (1) (2019)
Rao Huang, Li-Ta Lo, Yuhua Wen, Arthur F Voter, Danny Perez
Cluster analysis of accelerated molecular dynamics simulations: A case study of the decahedron to icosahedron transition in Pt nanoparticles. The Journal of chemical physics 147 (15) (2018)
Yu-Hua Wen, Rao Huang, Gui-Fang Shao, Shi-Gang Sun
Thermal Stability of Co-Pt and Co-Au Core-Shell Structured Nanoparticles: Insights from Molecular Dynamics Simulations. The journal of physical chemistry letters 8 (17) (2017)