37 citations · 37 across the 4 of their papers we have counts for
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cond-mat.soft2007
Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: free energetics of an excess proton in a water droplet
Jürgen Köfinger, Christoph Dellago
Multistate empirical valence bond (EVB) models provide an accurate description of the energetics of proton transfer and solvation in complex molecular systems and can be efficientl…
cond-mat.stat-mech2007★ 37 cited
On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations
Wolfgang Lechner, Christoph Dellago
According to the Jarzynski theorem, equilibrium free energy differences can be calculated from the statistics of work carried out during non-equilibrium transformations. Although e…