28 citations · 41 across the 3 of their papers we have counts for
3 papers
Low density interior in supercooled aqueous nanodroplets expels ions to the subsurface
Shahrazad M. A. Malek, Victor Kwan, Ivan Saika-Voivod +1
The interaction between water and ions within droplets plays a key role in the chemical reactivity of atmospheric and man-made aerosols. Here we report direct computational evidenc…
Surface tension of supercooled water nanodroplets from computer simulations
Shahrazad M. A. Malek, Peter H. Poole, Ivan Saika-Voivod
We estimate the liquid-vapour surface tension from simulations of TIP4P/2005 water nanodroplets of size =100 to 2880 molecules over a temperature range of 180 K to 300 K. We…
"Swarm relaxation": Equilibrating a large ensemble of computer simulations
Shahrazad M. A. Malek, Richard K. Bowles, Ivan Saika-Voivod +2
It is common practice in molecular dynamics and Monte Carlo computer simulations to run multiple, separately-initialized simulations in order to improve the sampling of independent…