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physics.comp-ph2019
Neural Mode Jump Monte Carlo
Luigi Sbailò, Manuel Dibak, Frank Noé
Markov chain Monte Carlo methods are a powerful tool for sampling equilibrium configurations in complex systems. One problem these methods often face is slow convergence over large…
cond-mat.soft2019★ 24 cited
Diffusion-influenced reaction rates in the presence of pair interactions
Manuel Dibak, Christoph Fröhner, Frank Noé +1
The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a p…