28 citations · 28 across the 1 of their papers we have counts for
3 papers
cond-mat.stat-mech2017
Understanding Molecular Dynamics with Stochastic Processes via Real or Virtual Dynamics
Dezhang Li, Zifei Chen, Zhijun Zhang +1
Molecular dynamics with the stochastic process provides a convenient way to compute structural and thermodynamic properties of chemical, biological, and materials systems. It is de…
physics.chem-ph2017★ 28 cited
Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics
Dezhang Li, Xu Han, Yichen Chai +5
Langevin dynamics has become a popular tool to simulate the Boltzmann equilibrium distribution. When the repartition of the Langevin equation involves the exact realization of the…
physics.chem-ph2017
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics
Zhijun Zhang, Xinzijian Liu, Zifei Chen +3
We show a unified second-order scheme for constructing simple, robust and accurate algorithms for typical thermostats for configurational sampling for the canonical ensemble. When…