169 citations · 179 across the 2 of their papers we have counts for
2 papers
cond-mat.stat-mech2018★ 10 cited
Theoretical prediction of thermal polarisation
Peter Wirnsberger, Christoph Dellago, Daan Frenkel +1
We present a mean-field theory to explain the thermo-orientation effect in an off-centre Stockmayer fluid. This effect is the underlying cause of thermally induced polarisation and…
physics.comp-ph2015★ 169 cited
An enhanced version of the heat exchange algorithm with excellent energy conservation properties
P. Wirnsberger, D. Frenkel, C. Dellago
We propose a new algorithm for non-equilibrium molecular dynamics simulations of thermal gradients. The algorithm is an extension of the heat exchange algorithm developed by Hafskj…