25 citations · 45 across the 2 of their papers we have counts for
3 papers
Optimum bias for fast-switching free energy calculations
Harald Oberhofer, Christoph Dellago
We derive the bias function that minimizes the statistical error of free energy differences calculated in work-biased fast-switching simulations. The optimum bias function is compa…
Single molecule pulling with large time steps
Harald Oberhofer, Christoph Dellago, Stefan Boresch
Recently, we presented a generalisation of the Jarzynski non-equilibrium work theorem for phase space mappings. The formalism shows that one can determine free energy differences f…
Equilibrium free energies from fast-switching trajectories with large time steps
Wolfgang Lechner, Harald Oberhofer, Christoph Dellago +1
Jarzynski's identity for the free energy difference between two equilibrium states can be viewed as a special case of a more general procedure based on phase space mappings. Solvin…