136 citations · 180 across the 3 of their papers we have counts for
3 papers
cond-mat.stat-mech2017★ 16 cited
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…
cond-mat.stat-mech2016★ 136 cited
A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat
Jian Liu, Dezhang Li, Xinzijian Liu
We introduce a novel simple algorithm for thermostatting path integral molecular dynamics (PIMD) with the Langevin equation. The staging transformation of path integral beads is em…