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)