Welcome to the personal webpage of Yu Zhang ()!

Education

• 1999 B. S., Chemsitry, Xiamen University, China.
  
• 2002 M. S., Theoretical Chemistry, Peking University, China.
  
• 2009 Ph. D., Theoretical Chemistry, University of British Columbia, Canada.

General Research Interests

• Highly accurate methods to explore electronic structures.
  
• Low scaling algorithms to apply the methods above.
  
• Reliable and efficient methods to study the dynamic processes of molecules.
  
• Many-body theory.

Special Research Interests

• Mathematical foundation of Density Functional Theory (DFT).
  
• Time-dependent Density Functional Theory (TDDFT).
  
• Self-consistent Field (SCF) convergence problem.
  
• Bioluminescent molecules.
  
• Molecular electronics.
  
• Molecules to deliver and store energy.

Current Projects

• DFT for resonances.
  
• Density Functional Partition Theory (DFPT).
  
• Atoms and molecules in a strong laser field.
  
• Some computational stuff which I have no place to put here...

Recent Publications

• Theoretical Studies on Structures, ¹³C NMR Chemical Shifts, Aromaticity, and Chemical Reactivity of Finite-Length Open-Ended Armchair Single-Walled Carbon Nanotubes
  L. V. Liu, W. Q. Tian, Y. K. Chen, Y. A. Zhang, and Y. A. Wang, (submitted) (2009).
  
• Asymptotic Behavior of Finite-System Wave Functions and Physical Interpretation of the Kohn-Sham Orbital Energies
  Y. A. Zhang and Y. A. Wang, (resubmitted) (2009).
  
• Are the Unconventional Density Variations Really Unconventional?
  Y. A. Zhang and Y. A. Wang , Int. J. Quantum Chem. 109, 3199-3216 (2009).
  
• Perturbative Total Energy Evaluation in SCF Iterations: Tests on Molecular Systems
  Y. A. Zhang and Y. A. Wang , J. Chem. Phys. 130 , 144116-(1-8) (2009).
  
• Theoretical Studies of the Tautomers of Pyridinethiones
  Y. A. Zhang, V. Monga, C. Orvig, and Y. A. Wang , J. Phys. Chem. A 112 , 3231-3238 (2008).

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