论文成果
- Heterogeneous catalysis from structure to activity via SSW-NN method.-Journal of Chemical Physics-2019-01-01-151
- The JPC Periodic Table.-Journal of Physical Chemistry A-2019-01-01-123
- 3-D Tunnel TiO2 Crystal Phase as a Fast Charging Lithium Battery Anode from Stochastic Surface Walking-Based Material Screening.-Journal of Physical Chemistry C-2019-01-01-123
- Phase junction-confined single-atom TiO2-Pt-1-CeO2 for multiplying catalytic oxidation efficiency.-Catalysis Science and Technology-2021-01-01-11
- Hydrogen Coupling on Platinum Using Artificial Neural Network Potentials and DFT.-Journal of Physical Chemistry Letters-2021-01-01-12
- Active Site of Catalytic Ethene Epoxidation: Machine-Learning Global Pathway Sampling Rules Out the Metal Sites.-ACS Catalysis-2021-01-01-11
- Structure and Activity of Potential-Dependent Pt(110) Surface Phases Revealed from Machine-Learning Atomic Simulation.-Journal of Physical Chemistry C-2021-01-01-125
- First-principles simulation of electrocatalytic reactions.-中国化学会第27届学术年会第14分会场摘要集-2010-01-01
- Recent progress in theoretical catalysis: Automated reaction pathway sampling and solid-liquid interface electrochemical/photo catalysis.-Abstracts of Papers of the American Chemical Society-2013-01-01-245
- Stochastic surface walking method for structure prediction and pathway searching.-Abstracts of Papers of the American Chemical Society-2014-01-01-248
