260 citations · 260 across the 1 of their papers we have counts for
5 papers
Bayesian ensemble refinement by replica simulations and reweighting
Gerhard Hummer, Jürgen Köfinger
We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynami…
The statistics of electric field fluctuations in liquid water
Bernhard Reischl, Jürgen Köfinger, Christoph Dellago
Electric field fluctuations play a major role in dissociation reactions in liquid water and determine its vibrational spectroscopic response. Here, we study the statistics of elect…
A one-dimensional dipole lattice model for water in narrow nanopores
Jürgen Köfinger, Gerhard Hummer, Christoph Dellago
We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equiv…
Phase behaviour of a symmetrical binary fluid mixture
Juergen Koefinger, Nigel B. Wilding, Gerhard Kahl
We have investigated the phase behaviour of a symmetrical binary fluid mixture for the situation where the chemical potentials and of the two species differ. Attention…
Liquid-vapour phase behaviour of a symmetrical binary fluid mixture
N. B. Wilding, F. Schmid, P. Nieleba
Using Monte-Carlo simulation and mean field calculations, we study the liquid-vapour phase diagram of a square well binary fluid mixture as a function of a parameter measuring…