Research

Research interests :
  1. Chemical reactions in solution or specific recognition reactions in biological systems using quantum mechanical and molecular dynamics simulations.

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  2. Structures and dynamics of molecules at sufaces and interfaces using linear or nonlinear vibrational spectroscopies.

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Key Words :

Molecular Orbital (MO) , Molecular Dynamics (MD) , Monte Carlo (MC) , Quantum molecular simulation , linear/nonlinear surface vibrational spectroscopies , IR-VIS sum-frequency generation , organic monolayers