2 papers
cond-mat.mtrl-sci2026
Molecular simulation of methane hydrate growth confined into a silica pore
Ãngel M. Fernández-Fernández, MarÃa M. Conde, Germán Pérez-Sánchez +2
The growth of a methane hydrate seed within a silica slit pore of fixed width has been studied using AllAtom Molecular Dynamics (AA-MD). An AA force field has been used to describe…
cond-mat.soft2025
Scaled charges for ions: an improvement but not the final word for modeling electrolytes in water
S. Blazquez, M. M. Conde, C. Vega
In this work we discuss the use of scaled charges when developing force fields for NaCl in water. We shall develop force fields for Na and Cl using the following values for…