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RESEARCH INTERESTS
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The development and application of ReaxFF/Machine learning potenial to study the chemistry of complex materials at large scale
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Simulation of catalytic reactions in the confined environment and on the surface
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Conductivity and chemical degradation of membrane fuel cells
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Si surface studies, tribochemical wear mechanism and thermal chemical stability
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MD simulation of proton transport in protein/aqueous solution
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Theoretical studies on the electronic structures of molecules and elechemistry process
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Computational fluid dynamics
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