Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls

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Temperature and Pressure Controls


  • Constant Temperature MD
  • Quench method
  • Brownian dynamics/Anderson thermostat
  • Nose-Hoover thermostat (FS 6.1.2)
  • Nose-Hoover thermodynamics
  • Effect of thermostat
  • Comparison of Thermostats
  • Constant pressure or constant volume
  • Constant Pressure (FS 6.2)
  • Equations of motion
  • Parrinello-Rahman simulation
  • Features of Constant Pressure/Variable Structure Simulations


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Researchers should cite this work as follows:

  • David M. Ceperley (2009), "Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls,"

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