Our paper entitled “A new truncation correction for the configurational temperature extends its applicability to interaction potentials with a discontinuous force” has been accepted for publication in the Journal of Chemical Physics. The work has been done in collaboration with Prof. E. M. Blokhuis at the University in Leiden in the Netherlands, Dr. A. Lervik from NTNU and Dr. T. T. Trinh from NTNU. In the paper, we present a new truncation correction (triangles) for the configurational temperature which, unlike previous corrections (squares), works for the truncated and shifted LJ-potential within the accuracy of the simulations. The most important outcome of the work is that we show that the expression for the configurational temperature is valid also for interaction potentials with a discontinuous force, given that the discontinuity is properly taken into account. The figure below shows an example from the paper.
