From thermodynamics to kinetics: enhanced sampling of rare events.

@article{Yang2015FromTT,
  title={From thermodynamics to kinetics: enhanced sampling of rare events.},
  author={Lijiang Yang and Cheng-Wen Liu and Qiang Shao and Jun Zhang and Yi Qin Gao},
  journal={Accounts of chemical research},
  year={2015},
  volume={48 4},
  pages={947-55}
}
Despite great advances in molecular dynamics simulations, there remain large gaps between the simulations and experimental observations in terms of the time and length scales that can be approached. Developing fast and accurate algorithms and methods is of ultimate importance to bridge these gaps. In this Account, we briefly summarize recent efforts in such… CONTINUE READING