78 citations · 175 across the 7 of their papers we have counts for
7 papers
Multicanonical molecular dynamics by variable-temperature thermostats and variable-pressure barostats
Cheng Zhang, Michael W. Deem
Sampling from flat energy or density distributions has proven useful in equilibrating complex systems with large energy barriers. Several thermostats and barostats are presented to…
Temperature measurement from perturbations
Cheng Zhang
The notion of configuration temperature is extended to discontinuous systems by identifying the temperature as the nontrivial root of several integral equations regarding the distr…
Estimating statistical distributions using an integral identity
Cheng Zhang, Jianpeng Ma
We present an identity for an unbiased estimate of a general statistical distribution. The identity computes the distribution density from dividing a histogram sum over a local win…
Enhanced sampling and applications in protein folding in explicit solvent
Cheng Zhang, Jianpeng Ma
We report a single-copy tempering method for simulating large complex systems. In a generalized ensemble, the method uses runtime estimate of the thermal average energy computed fr…
Enhanced sampling in generalized ensemble with large gap of sampling parameter: case study in temperature space random walk
Cheng Zhang, Jianpeng Ma
We present an efficient sampling method for computing a partition function and accelerating configuration sampling. The method performs a random walk in the space, with bei…
Counting Solutions for the N-queens and Latin Square Problems by Efficient Monte Carlo Simulations
Cheng Zhang, Jianpeng Ma
We apply Monte Carlo simulations to count the numbers of solutions of two well-known combinatorial problems: the N-queens problem and Latin square problem. The original system is f…