Zhi-Pan Liu

发表

Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry C

Anastassia N. Alexandrova, Zhi-Pan Liu, J. R. Schmidt, 2020 .

Machine Learning for Atomic Simulation and Activity Prediction in Heterogeneous Catalysis: Current Status and Future

Zhi-Pan Liu, Sicong Ma, Sicong Ma, 2020, ACS Catalysis.

The recent development of automated methods for potential energy surface exploration

Zhi-Pan Liu, Cheng Shang, 2013 .

Small molecule‐mediated control of hydroxyapatite growth: Free energy calculations benchmarked to density functional theory

Zhi-Pan Liu, Qiang Cui, Yang Yang, 2014, J. Comput. Chem..

Particle size, shape and activity for photocatalysis on titania anatase nanoparticles in aqueous surroundings.

Zhi-Pan Liu, Zhipan Liu, Ye-Fei Li, 2011, Journal of the American Chemical Society.

Graphite to Diamond: Origin for Kinetics Selectivity.

Zhi-Pan Liu, Zhipan Liu, Yao-Ping Xie, 2017, Journal of the American Chemical Society.

Oxidative Dehydrogenation of Ethane over V2O5 (001): A Periodic Density Functional Theory Study

Zhi-Pan Liu, Kangnian Fan, Wenning Wang, 2008 .

Mechanism and activity of photocatalytic oxygen evolution on titania anatase in aqueous surroundings.

Zhi-Pan Liu, Weiguo Gao, Lulu Liu, 2010, Journal of the American Chemical Society.

Efficient softest mode finding in transition states calculations.

Zhi-Pan Liu, Weiguo Gao, Cheng Shang, 2013, The Journal of chemical physics.

Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions.

Zhi-Pan Liu, Cheng Shang, C. Shang, 2013, Journal of chemical theory and computation.

Stochastic surface walking method for crystal structure and phase transition pathway prediction.

Zhi-Pan Liu, Cheng Shang, C. Shang, 2014, Physical chemistry chemical physics : PCCP.

Catalytic role of gold in gold-based catalysts: a density functional theory study on the CO oxidation on gold.

Ali Alavi, Zhi-Pan Liu, P Hu, 2002, Journal of the American Chemical Society.

Catalytic activity and selectivity of methylbenzenes in HSAPO-34 catalyst for the methanol-to-olefins conversion from first principles

Zhi-Pan Liu, Zaiku Xie, Zhipan Liu, 2010 .

Catalytic Role of Minority Species and Minority Sites for Electrochemical Hydrogen Evolution on Metals: Surface Charging, Coverage, and Tafel Kinetics

Zhi-Pan Liu, Zhipan Liu, Guangfeng Wei, 2013 .

Observation of an all-boron fullerene.

Jun Li, Zhi-Pan Liu, Qiang Chen, 2014, Nature chemistry.

Stabilizing CO on Au with NO2: electronegative species as promoters on coinage metals?

Zhi-Pan Liu, Tianfu Zhang, D. King, 2005, Physical review letters.

Constrained Broyden Dimer Method with Bias Potential for Exploring Potential Energy Surface of Multistep Reaction Process.

Zhi-Pan Liu, Cheng Shang, C. Shang, 2012, Journal of chemical theory and computation.

Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method

Zhi-Pan Liu, Zhipan Liu, Guangfeng Wei, 2013 .

Reaction sampling and reactivity prediction using the stochastic surface walking method.

Zhi-Pan Liu, Zhipan Liu, Xiao-Jie Zhang, 2015, Physical chemistry chemical physics : PCCP.