Sfoglia Chimica per Autore "Milano, Giuseppe"
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Development of molecular models of interfaces using a multi-scale hybrid particle-field approach: application to composite materials and biomembranes
De Nicola, Antonio (Universita degli studi di Salerno, 2014-03-07)The rule of the interface in systems including polymer composites and block-‐ copolymer interacting with biomembrane has been investigated by computational approach. In particular, for the poly ... -
Mesoscale Modeling of Carbon Black/Polymer Interfaces: Linking Atomistic and Coarse-Grained Particle-Field Representations
Caputo, Stefano (Universita degli studi di Salerno, 2020-02-11)The research activity, described in this Ph. D. thesis, was dedicated to the development of a novel carbon black (CB) primary particle model, with accurate morphology, to be used in coarse-grained (CG) molecular dynamics ... -
A molecular dymanics view of structure and reactivity
Ragone, Francesco (Universita degli studi di Salerno, 2011-02-21)The eld of computer simulations has developed into a very important branch of science providing a guess at the interactions between molecules to obtain predictions of properties as accurate as required, subject to ...