Research Interests

Electronic Structures of the Actinides
Computational Electronic Structure Theory of Solids and Surfaces
Computational Studies of Nanostructures and Clusters
Computational Electron Transport Theory  
Parallel Computing
 


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Oxygen Atom on Plutonium Surface


Optimized configuration of O2 adsorption on the top site

NSP and SP refer to non-spin and spin polarization, respectively.

Optimized configuration of O2 adsorption on the bridge site

NSP and SP refer to non-spin and spin polarization, respectively.

Optimized configuration of O2 adsorption on center site

NSP and SP refer to non-spin and spin polarization, respectively.

 

Optimized structures of Si20Cn clusters.

Most stable optimized structures of SimCn nanoclusters

 

A Silicon Nanotube in Armchair Configuration.

 

Chemisorption of Atomic Oxygen on GaAs beta (4X2) Surface

Chemisorption of Atomic Aluminum on GaAs beta (4X2) Surface