Welcome to Dr. Zhang's group

• The development and application of ReaxFF force field to study the chemistry of complex materials at large scale

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• MD simulation of proton transport in protein/aqueous solution

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• Simulation of catalytic reactions in the confined environment 

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• eReaxFF force field development and application for Li-battery

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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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• 2D materials growth, i.e., graphene, MoS2, h-BN etc.

 

• Theoretical studies on the electronic structures of molecules

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• Electron transfer rate calculations

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