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