165 citations · 245 across the 4 of their papers we have counts for
4 papers
Transferable MARTINI Model of Poly(ethylene Oxide)
Fabian Grunewald, Giulia Rossi, Alex H. de Vries +2
Motivated by the deficiencies of the previous MARTINI models of poly(ethylene oxide) (PEO), we present a new model featuring a high degree of transferability. The model is parametr…
A Martini coarse-grained model of the calcein fluorescent dye
Sebastian Salassi, Federica Simonelli, Alessio Bartocci +1
Calcein leakage assays are a standard experimental set-up for probing the extent of damage induced by external agents on synthetic lipid vesicles. The fluorescence signal associate…
Correlations between mechanical, structural, and dynamical properties of polymer nanocomposites
Kutvonen Aki, Rossi Giulia, Ala-Nissila Tapio
We study the structural and dynamical mechanisms of reinforcement of a polymer nanocomposite (PNC) via coarse-grained molecular dynamics simulations. In a regime of strong polymer-…
Stress release mechanisms for Cu on Pd(111) in the submonolayer and monolayer regimes
J. Jalkanen, G. Rossi, O. Trushin +3
We study the strain relaxation mechanisms of Cu on Pd(111) up to the monolayer regime using two different computational methodologies, basin-hopping global optimization and energy…