Coarse-graining molecular systems by spectral matching.

  title={Coarse-graining molecular systems by spectral matching.},
  author={Feliks N{\"u}ske and Lorenzo Boninsegna and Cecilia Clementi},
  journal={The Journal of chemical physics},
  volume={151 4},
Coarse-graining has become an area of tremendous importance within many different research fields. For molecular simulation, coarse-graining bears the promise of finding simplified models such that long-time simulations of large-scale systems become computationally tractable. While significant progress has been made in tuning thermodynamic properties of reduced models, it remains a key challenge to ensure that relevant kinetic properties are retained by coarse-grained dynamical systems. In this… 
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