(随机碰撞方法、速度调节法、Berendsen、Nosé-Hoover、Velocity-rescale,以及相关问题如热溶剂冷溶质问题、flying ice-cube问题等)、压浴的思想以及各种主流控压算法(Berendsen、Parrinello-Rahman、stochastic cell rescaling)、系综与热浴/压浴的关系、限制/约束/冻结的概念、Langevin动力学、蒙特卡罗(Monte Carlo)模拟...
Velocity rescaling thermostat TheThe velocityvelocity rescalingrescaling thermostatthermostat isis essentiallyessentially aa BerendsenBerendsen thermostatthermostat (see(see above)above) withwith an additional stochastic term which ensures a correct kinetic energy distribution: where K is the kinetic energy, Nf ...