Research Interests

  1. Development of Molecular Dynamics Algorithms 
    • A thermostat scheme for simultaneously controlling the configurational and kinetic temperatures
    • Modification of existing Nos\'{e}-Hoover & Braga-Travis thermostats along with our proposed thermostat to improve their ergodic characteristics
  2. Fluctuation Relations and Nonequilibrium Statistical Mechanics
    • Identifying meaningful statistics of equilibrium states from nonequilibrium steady states
    • Faster calculation of free-energy differences from nonequilibrium paths using statistical tools
    • Calculating the entire spectrum of nonequilibrium distribution with simple data
  3. Nonlinear dynamics (started learning some months back)
    • Nonergodicity of Martyna-Klein-Tuckerman thermostat
    • Ergodic characteristics of coupled thermostats

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