Journal of Physical Chemistry B

Just accepted

DOI: 10.1021/acs.jpcb.9b10144


Another outcome of our collaboration with the group of Dr. Ali Hassanali (ICTP Trieste, IT)! This time, we have been looking at some subtle details of the structure of supercooled water in relation to the emergence of regions of empty space in the liquid. Far from being just a curiosity, these findings provide an interesting take on the (in)famous low- vs high-density water debate and offer a novel perspective on the structural properties of supercooled liquids as we approach the glass transition temperature. Looking at the dynamical properties of these cavities would be the natural next step… but we’re also working on a piece of code that might be of use to tackle the characterisation of regions of empty space across a variety of different systems. In a nutshell: stay tuned, folks… meanwhile, have a look at the paper online or grab a .pdf.