17 citations · 33 across the 3 of their papers we have counts for
3 papers
Comment on Nanoscale Wetting of Crystalline Cellulose
David Malaspina, Jordi Faraudo
In a recent publication, Trentin et al employed Molecular Dynamics (MD) simulations for the theoretical study of the wetting of the different polymorphs of cellulose by water, usin…
On the relation between hydrogen bonds, tetrahedral order and molecular mobility in model water
R. G. Pereyra, A. Bermudez di Lorenzo, D. C. Malaspina +1
We studied by molecular dynamics simulations the relation existing between the lifetime of hydrogen bonds, the tetrahedral order and the diffusion coefficient of model water. We te…
The water supercooled regime as described by four common water models
David C. Malaspina, Aleida J. Bermudez di Lorenzo, Rodolfo G. Pereyra +2
The temperature scale of simple water models in general does not coincide with the natural one. Therefore, in order to make a meaningful evaluation of different water models a temp…