Inversion of radial distribution functions to pair forces by solving the Yvon-Born-Green equation iteratively.

@article{Cho2009InversionOR,
  title={Inversion of radial distribution functions to pair forces by solving the Yvon-Born-Green equation iteratively.},
  author={Hyung Min Cho and Jhih-Wei Chu},
  journal={The Journal of chemical physics},
  year={2009},
  volume={131 13},
  pages={134107}
}
We develop a new method to invert the target profiles of radial distribution functions (RDFs) to the pair forces between particles. The target profiles of RDFs can be obtained from all-atom molecular dynamics (MD) simulations or experiments and the inverted pair forces can be used in molecular simulations at a coarse-grained (CG) scale. Our method is based… CONTINUE READING