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The Journal of Physical Chemistry Letters|March 26, 2021
Zirconia-Supported ZnO Single Layer for Syngas Conversion Revealed from Machine-Learning Atomic SimulationSiyue Chen, Sicong Ma, Zhi-Pan LiuChemical Science|June 25, 2021
The dome of gold nanolized for catalysisYao Peng, Cheng Shang, Zhi-Pan LiuThe Journal of Physical Chemistry Letters|April 8, 2022
In Situ Active Site for Fe-Catalyzed Fischer-Tropsch Synthesis: Recent Progress and Future ChallengesQian-Yu Liu, Cheng Shang, Zhi-Pan LiuChemical Science|April 21, 2025
Unraveling the mechanisms of ketene generation and transformation in syngas-to-olefin conversion over ZnCrO |SAPO-34 catalystsZhuo-Yan Yao, Sicong Ma, Zhi-Pan LiuJournal of Chemical Theory and Computation|November 20, 2015
From Atoms to Fullerene: Stochastic Surface Walking Solution for Automated Structure Prediction of Complex MaterialXiao-Jie Zhang, Cheng Shang, Zhi-Pan LiuAccounts of Chemical Research|September 17, 2020
Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface ExplorationPei-Lin Kang, Cheng Shang, Zhi-Pan LiuJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 14, 2015
Searching for new TiO₂ crystal phases with better photoactivityCheng Shang, Wei-Na Zhao, Zhi-Pan LiuJournal of the American Chemical Society|May 28, 2026
Anisotropic Amorphization of Black TitaniaYikun Kang, Zhi-Pan Liu, Ye-Fei LiPhysical Chemistry Chemical Physics : PCCP|December 6, 2014
Confined platinum nanoparticle in carbon nanotube: structure and oxidationGuang-Feng Wei, Cheng Shang, Zhi-Pan LiuJournal of Chemical Theory and Computation|November 24, 2015
Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex ReactionsXiao-Jie Zhang, Cheng Shang, Zhi-Pan LiuPageof 105