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List of works by Paola Carbone

A classical force field for tetrahedral oxyanions developed using hydration properties: The examples of pertechnetate (TcO4(-)) and sulfate (SO4(2-)).

scientific article published in November 2015

A multiple time step scheme for multiresolved models of macromolecules

scientific article published on 26 March 2014

A multiscale approach to model hydrogen bonding: The case of polyamide

scientific article published in June 2015

Amphiphilic copolymers change the nature of the ordered-to-disordered phase transition of lipid membranes from discontinuous to continuous

scientific article published on 01 June 2019

An experimental rheological phase diagram of a tri-block co-polymer in water validated against dissipative particle dynamics simulations

scientific article published on 01 February 2019

Backmapping coarse-grained polymer models under sheared nonequilibrium conditions

scientific article published on 13 February 2009

Charge Diffusion in Semiconducting Polymers: Analytical Relation between Polymer Rigidity and Time Scales for Intrachain and Interchain Hopping

scientific article published on 23 July 2014

Computational characterisation of dried and hydrated graphene oxide membranes

scientific article published on 10 January 2018

Constructing the phase diagram of sodium laurylethoxysulfate using dissipative particle dynamics

scientific article published on 31 August 2019

Cross-over in the dynamics of polymer confined between two liquids of different viscosity

scientific article published on 19 April 2019

Design Rules for Graphene and Carbon-Nanotube Solvents and Dispersants.

scientific article published on 23 January 2018

Dissipative particle dynamics simulations of tri-block co-polymer and water: Phase diagram validation and microstructure identification

scientific article published on 01 November 2018

Dynamically Polarizable Force Fields for Surface Simulations via Multi-output Classification Neural Networks

scientific article published on 01 July 2021

Effect of Chain Length on the Partition Properties of Poly(ethylene oxide): Comparison between MARTINI Coarse-Grained and Atomistic Models.

scientific article published on 2 February 2017

Effect of strain on the photoisomerization and stability of a congested azobenzenophane: a combined experimental and computational study

article

Effective Polarization in Pairwise Potentials at the Graphene-Electrolyte Interface

scientific article published on 25 January 2017

Extended Charge-On-Particle Optimized Potentials for Liquid Simulation Acetone Model: The Case of Acetone-Water Mixtures

scientific article published on 10 May 2018

Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts

scientific article published on 01 January 2010

How good are coarse-grained polymer models? A comparison for atactic polystyrene.

scientific article published on 19 June 2012

How the Incorporation of Pluronic Block Copolymers Modulates the Response of Lipid Membranes to Mechanical Stress

scientific article published on 30 October 2017

In Silico Design and Characterization of Graphene Oxide Membranes with Variable Water Content and Flake Oxygen Content

scientific article published on 28 February 2019

Local and global dynamics of multi-resolved polymer chains: Effects of the interactions atoms-beads on the dynamic of the chains

scientific article

Mixing atoms and coarse-grained beads in modelling polymer melts ⬇️

scientific article published on October 28, 2012

Ontology-based semantic interoperability on the Virtual Materials Marketplace

scientific article published in proceedings of the iswc 2020 demos and industry tracks: from novel ideas to industrial practice

Precise and ultrafast molecular sieving through graphene oxide membranes.

scientific article

Relationship between the affinity of PEO-PPO-PEO block copolymers for biological membranes and their cellular effects.

scientific article

Selective Removal of Technetium from Water Using Graphene Oxide Membranes.

scientific article

Shape persistence and bistability of planar three-fold core polyphenylene dendrimers: a molecular dynamics study

scientific article published in February 2006

Solvent structuring and its effect on the polymer structure and processability: the case of water-acetone poly-ε-caprolactone mixtures

scientific article published on 10 November 2014

Stability of amphiphilic dendrimers at the water/air interface

scientific article published on 05 October 2011

Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model

scientific article published on 25 March 2010

The Relationship between Wormlike Micelle Scission Free Energy and Micellar Composition: The Case of Sodium Lauryl Ether Sulfate and Cocamidopropyl Betaine

scientific article published on 06 October 2020

Thermodynamics of linear and star polymers at fluid interfaces.

scientific article published in January 2015

Thermodynamics of the self-assembly of non-ionic chromonic molecules using atomistic simulations. The case of TP6EO2M in aqueous solution.

scientific article published on 4 December 2014

Transferability of coarse-grained force fields: the polymer case.

scientific article

Unexpected Like-Charge Self-Assembly of a Biguanide-Based Antimicrobial Polyelectrolyte

scientific article published on 6 September 2016

Van der Waals pressure and its effect on trapped interlayer molecules

scientific article

Why different water models predict different structures under 2D confinement

scientific article published on 18 September 2018

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