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Chemical Science|March 22, 2018
Restructuring and Hydrogen Evolution on Pt NanoparticleGuang-Feng Wei, Zhi-Pan LiuJournal of the American Chemical Society|July 23, 2008
Comprehensive mechanism and structure-sensitivity of ethanol oxidation on platinum: new transition-state searching method for resolving the complex reaction networkHui-Fang Wang, Zhi-Pan LiuPhysical Chemistry Chemical Physics : PCCP|October 1, 2013
Optimum nanoparticles for electrocatalytic oxygen reduction: the size, shape and new designGuang-Feng Wei, Zhi-Pan LiuPhysical Review Letters|June 17, 2022
Smallest Stable Si/SiO_{2} Interface that Suppresses Quantum Tunneling from Machine-Learning-Based Global SearchYe-Fei Li, Zhi-Pan LiuIscience|January 25, 2021
Reaction prediction via atomistic simulation: from quantum mechanics to machine learningPei-Lin Kang, Zhi-Pan LiuJournal of the American Chemical Society|September 2, 2011
Particle size, shape and activity for photocatalysis on titania anatase nanoparticles in aqueous surroundingsYe-Fei Li, Zhi-Pan LiuJournal of the American Chemical Society|December 8, 2010
Mechanism and Tafel lines of electro-oxidation of water to oxygen on RuO2(110)Ya-Hui Fang, Zhi-Pan LiuJournal of Chemical Theory and Computation|November 18, 2015
Variable-cell double-ended surface walking method for fast transition state location of solid phase transitionsXiao-Jie Zhang, Zhi-Pan LiuJournal of Chemical Theory and Computation|December 5, 2024
Local-Softening Stochastic Surface Walking for Fast Exploration of Corrugated Potential Energy SurfacesTong Guan, Cheng Shang, Zhi-Pan LiuThe Journal of Chemical Physics|March 9, 2022
Automated search for optimal surface phases (ASOPs) in grand canonical ensemble powered by machine learningDongxiao Chen, Cheng Shang, Zhi-Pan LiuPageof 105