Ersan Demiralp

Materials and Process Simulation Center
California Institute of Technology
Mail Stop 139-74
Pasadena, CA 91125, USA

Research interests

• Organic Superconductors
  • Quantum Chemical Calculations for ET
  • Prediction of New Donors for Organic Superconductors
  • Electron Transfer Boat Vibration Mechanisms in Organic Superconductors
  • Vibrational Modes of Neutral ET
• Quantum Mechanical Calculations
  • MP2,DFT calculations
• Molecular Mechanical and Molecular Dynamical Simulations
  • Silica Glass Simulations
• Electronic Band Structure Calculations
  • Hubbard Model Calculations on Organic Superconductors
• Oxides, Interfaces, Wetting
  • Silica Interatomic Potentials

  Publications

  Presentations

  
  erd@wag.caltech.edu