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cond-mat.stat-mech2014★ 1 cited
Improving the ergodic characteristics of thermostats using higher order temperatures
Puneet Kumar Patra, Baidurya Bhattacharya
Most deterministic schemes for controlling temperature by kinetic variables (NH thermsotat), configurational variables (BT thermostat) and all phase space variables (PB thermostat)…
cond-mat.stat-mech2014★ 48 cited
Non-Ergodicity of Nose-Hoover chain thermostat in computationally achievable time
Puneet Kumar Patra, Baidurya Bhattacharya
The widely used Nose-Hoover chain (NHC) thermostat in molecular dynamics simulations is generally believed to impart the canonical distribution as well as quasi- (i.e., space filli…