Computational Solid State Theory & Materials Science

Graduate Students

Current Students

• Haiying He
  

  Haiying obtained her M.S in Material Physics and Chemistry from Lanzhou University, P.R. China in 2000 and joined Dr. Pandey's group in September 2003. Her interests are in understanding the physics of nanomaterials and nanoelectronic devices. Recent research has been in the study of electronic structure and transport properties of molecular electronic devices from first-principles calculations. These include the use of organic molecules as wires, magnetoresistive effect in organic spin-valves, biosensors via electrical signals, unimolecular diodes and transistors, which may reinvigorate the Si semiconductor technology.

• Chunhui Liu
  

  Chunhui obtained his M S in Chemistry from Lanzhou University, P. R. China in 2000 and joined Dr. Pandey's group in September 2007. His interests are in understanding the physics of nanoparticle toxicity.

• Saikat Mukhopadhyay
  

  Saikat obtained his M S in Physics from University of Pune, India in 2005. He continued research (quantum chemical calculations of electron transfer probability in organic solids) for a couple years in NCL, India. He joined to Dr. Pandey's group in Fall 2007. His current projects involve studying the electronic structure and properties of metal oxides & metal clusters using ab-initio methods.

• Xiaoliang Zhong
  

Graduates

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• Gowtham S
  Ph.D / 2007
  Development of A High Performance Parallel Computing Platform and Its Use in the Study of Nanostructures: Clusters, Sheets and Tubes
  
• Kah Chun Lau
  Ph.D / 2007
  First-Principles Studies of Boron Nanostructures : Clusters, Sheets and Nanotubes
  
• Huitian Jiang
  Ph.D / 2003
  Theoretical Study of Scintillating Flouride Crystals - Methodolgy and Application
  
• Anil Kandalam
  Ph.D / 2002
  Electronic Structure Calculations of Group III Nitride Clusters
• Kai-hua Xiang
  Ph.D / 1999
  A Theoretical Study of Structural and Electronic Properties of H-silsesquioxanes
• Suresh Sampath
  Ph.D / 1998 (Co-Advisor : J. C. Cordaro)
  Synthesis and Study of Oxide Spinels
• Peter Zapol
  Ph.D / 1998
  Calculations of Bulk and Defect Properties in Binary and Ternary Semiconductors
• Manoj Rathor
  M.S / 1996 (Co-Advisor : M. Krishnamurthy)
  Electrical Characterization of MBE Grown Ge_1-xC_x Thin Films
• Michael T Ulmor
  Ph.D / 1996 (Co-Advisor : D. J. Keeble)
  A Positron Annihilation Investigation of Open Volume Defects in GaAs Grown by Molecular Beam Epitaxy
• Sundar Veliah
  Ph.D / 1996
  Density Functional Theory Calculations of Metal Oxide Clusters
• Amin Sutjianto
  Ph.D / 1995 (Co-Advisor : S. W. Tam)
  Study of Dissociative Hydrogen Adsorption on Lithium Oxide Terraces and Steps
• Upendra Puntambekar
  M. S / 1995 (Co-Advisor : S. Seidel)
  Simulation of Point-Defects in Magnesium Sulfide
• Xiaoyang Yang
  Ph.D / 1993
  Structures and Stability of Alkali Fluoride Micro-Clusters
• Sanjay Sood
  M. S / 1992
  Ab Initio Hartree-Fock Calculations of Structural and Electronic Properties of Magnesium Sulphide and Magnesium Selenide
• Xiaoyang Yang
  M. S / 1991
  Hartree-Fock and Monte Carlo Simulation of Alkali Halide Clusters