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Dynamical reweighting

Dynamical reweighting

Dynamical reweighting


Path reweighting

  • S. Kieninger, L. Donati, B. G. Keller, “Dynamical reweighting methods for Markov models,” Curr. Opin. Struct. Biol., 61, 124–131 (2020)
  • L. Donati  B. G. Keller, “Girsanov reweighting for metadynamics simulations,” J. Chem.  Phys.,  149, 072335 (2018)
  • J. Quer, L. Donati, B. G. Keller,  M. Weber, “An Automatic Adaptive Importance Sampling Algorithm for Molecular Dynamics in Reaction Coordinates,” SIAM Journal on Scientific Computing,  40, A653–A670, (2018)
  • L. Donati, C. Hartmann,  B. G. Keller, “Girsanov reweighting for path ensembles and Markov state models,” J. Chem.  Phys.,  146, 244112 (2017)

Square-root approximation for the Fokker-Planck equation

  • L. Donati, M. Heida, B. G. Keller,  M. Weber, “Estimation of the infinitesimal generator by square-root approximation,” J. Phys.: Condens. Matter,  30, 425201 (2018)