Iván M. Zerón

most citedA force field of Li

^{+}

, Na

^{+}

, K

^{+}

, Mg

^{2 +}

, Ca

^{2 +}

, Cl

^{-}

, and SO

_{4}^{2 -}

in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions

351 citations · 383 across the 3 of their papers we have counts for

collaborators

3 papers

cond-mat.soft2024★ 2 cited

Transport properties of the square-well fluid from molecular dynamics simulation

Iván M. Zerón, Marina Cueto-Mora, Felipe J. Blas

In this work, we have calculated self-diffusion and shear viscosity, two of the most important transport properties, of the spherical square-well (SW) fluid interacting with potent…

physics.chem-ph2024★ 351 cited

A force field of Li $^{+}$ , Na $^{+}$ , K $^{+}$ , Mg $^{2 +}$ , Ca $^{2 +}$ , Cl $^{-}$ , and SO $_{4}^{2 -}$ in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions

I. M. Zeron, J. L. F. Abascal, C. Vega

In this work, a force field for several ions in water is proposed. In particular, we consider the cations Li $^{+}$ , Na $^{+}$ , K $^{+}$ , Mg $^{2 +}$ , Ca $^{2 +}$ and the anions Cl $^{-}$ , and S…

physics.chem-ph2024★ 30 cited

In Silico Seawater

I. M. Zeron, M. A. Gonzalez, E. Errani +2

Many important processes affecting the Earth's climate are determined by the physical properties of seawater. Desalination of seawater is a significant source of drinking wate.Sinc…

Transport properties of the square-well fluid from molecular dynamics simulation

A force field of Li+ , Na+ , K+, Mg2+, Ca2+, Cl−, and SO42−​ in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions

In Silico Seawater

A force field of Li $^{+}$ , Na $^{+}$ , K $^{+}$ , Mg $^{2 +}$ , Ca $^{2 +}$ , Cl $^{-}$ , and SO $_{4}^{2 -}$ in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions