activity
20112024
most citedTemperature dependence of the microscopic structure and density anomaly of the SPC/E and TIP4P-Ew water models. Molecular dynamics simulation results

20 citations · 158 across the 24 of their papers we have counts for

collaborators

24 papers

cond-mat.soft2024★ 5 cited

Revisiting the wetting behavior of solid surfaces by water-like models within a density functional theory

A. Kozina, M. Aguilar, O. Pizio +1

We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces.…

cond-mat.soft2023★ 2 cited

Aspects of the microscopic structure of curcumin solutions with water-dimethylsulfoxide solvent. Molecular dynamics computer simulation study

T. Patsahan, O. Pizio

We explore some aspects of the microscopic structure of curcumin solutions with water-dimethylsulfoxide solvent of variable composition. Molecular dynamics computer simulations at…

cond-mat.soft2023

Apparent molar volume anomaly in water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations

M. Aguilar, H. Dominguez, O. Pizio

We have studied the composition dependence of density of liquid water-DMSO mixtures at different temperatures by using the isobaric-isothermal (NPT) molecular dynamics computer sim…

cond-mat.soft2022★ 9 cited

Revisiting the composition dependence of the properties of water-dimethyl sulfoxide liquid mixtures. Molecular dynamics computer simulations

M. Aguilar, H. Dominguez, O. Pizio

We have revisited the composition dependence of principal properties of liquid water-DMSO mixtures by using the isobaric-isothermal molecular dynamics computer simulations. A set o…

cond-mat.soft2022★ 8 cited

Contact angle of water on a model heterogeneous surface. A density functional approach

K. Dąbrowska, O. Pizio, S. Sokołowski

We use a density functional approach to calculate the contact angle of the water model on a heterogeneous, graphite-like surface. The surface heterogeneity results from the pre-ads…

cond-mat.soft2022★ 3 cited

Structural aspects of the clustering of curcumin molecules in water. Molecular dynamics computer simulation study

T. Patsahan, O. Pizio

We explore clustering of curcumin molecules in water by using the OPLS-UA model for the enol conformer of curcumin (J. Mol. Liq., 223, 707, 2016) and the SPC-E water model. With th…