Paola Carbone
Paola Carbone
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Precise and ultrafast molecular sieving through graphene oxide membranes
RK Joshi, P Carbone, FC Wang, VG Kravets, Y Su, IV Grigorieva, HA Wu, ...
science 343 (6172), 752-754, 2014
Tunable sieving of ions using graphene oxide membranes
J Abraham, KS Vasu, CD Williams, K Gopinadhan, Y Su, CT Cherian, ...
Nature nanotechnology 12 (6), 546-550, 2017
Temperature-transferable coarse-grained potentials for ethylbenzene, polystyrene, and their mixtures
HJ Qian, P Carbone, X Chen, HA Karimi-Varzaneh, CC Liew, ...
Macromolecules 41 (24), 9919-9929, 2008
Transferability of coarse-grained force fields: The polymer case
P Carbone, HAK Varzaneh, X Chen, F Müller-Plathe
The Journal of chemical physics 128 (6), 2008
Van der Waals pressure and its effect on trapped interlayer molecules
KS Vasu, E Prestat, J Abraham, J Dix, RJ Kashtiban, J Beheshtian, ...
Nature communications 7 (1), 12168, 2016
How good are coarse‐grained polymer models? A comparison for atactic polystyrene
HA Karimi‐Varzaneh, NFA Van Der Vegt, F Müller‐Plathe, P Carbone
ChemPhysChem 13 (15), 3428-3439, 2012
A multiscale approach to model hydrogen bonding: The case of polyamide
RJ Gowers, P Carbone
The Journal of Chemical Physics 142 (22), 2015
IBIsCO: A molecular dynamics simulation package for coarse‐grained simulation
HA Karimi‐Varzaneh, HJ Qian, X Chen, P Carbone, F Müller‐Plathe
Journal of computational chemistry 32 (7), 1475-1487, 2011
Effective polarization in pairwise potentials at the graphene–electrolyte interface
CD Williams, J Dix, A Troisi, P Carbone
The Journal of Physical Chemistry Letters 8 (3), 703-708, 2017
Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure
S Nawaz, M Redhead, G Mantovani, C Alexander, C Bosquillon, ...
Soft Matter 8 (25), 6744-6754, 2012
Coarse-graining poly (ethylene oxide)–poly (propylene oxide)–poly (ethylene oxide)(PEO–PPO–PEO) block copolymers using the MARTINI force field
S Nawaz, P Carbone
The Journal of Physical Chemistry B 118 (6), 1648-1659, 2014
Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model
HA Karimi-Varzaneh, F Müller-Plathe, S Balasubramanian, P Carbone
Physical Chemistry Chemical Physics 12 (18), 4714-4724, 2010
Selective removal of technetium from water using graphene oxide membranes
CD Williams, P Carbone
Environmental science & technology 50 (7), 3875-3881, 2016
Insights into the polyhexamethylene biguanide (PHMB) mechanism of action on bacterial membrane and DNA: A molecular dynamics study
S Sowlati-Hashjin, P Carbone, M Karttunen
The Journal of Physical Chemistry B 124 (22), 4487-4497, 2020
Charge diffusion in semiconducting polymers: analytical relation between polymer rigidity and time scales for intrachain and interchain hopping
P Carbone, A Troisi
The Journal of Physical Chemistry Letters 5 (15), 2637-2641, 2014
Hydrogen bonding and dynamic crossover in Polyamide-66: a molecular dynamics simulation study
HA Karimi-Varzaneh, P Carbone, F Müller-Plathe
Macromolecules 41 (19), 7211-7218, 2008
Molecular dynamics simulations of polyaminoamide (PAMAM) dendrimer aggregates: Molecular shape, hydrogen bonds and local dynamics
P Carbone, F Müller-Plathe
Soft Matter 5 (13), 2638-2647, 2009
Fine-graining without coarse-graining: An easy and fast way to equilibrate dense polymer melts
P Carbone, HA Karimi-Varzaneh, F Müller-Plathe
Faraday discussions 144, 25-42, 2010
A coarse-grained model for polyphenylene dendrimers: switching and backfolding of planar three-fold core dendrimers
P Carbone, F Negri, F Müller-Plathe
Macromolecules 40 (19), 7044-7055, 2007
Semantic interoperability and characterization of data provenance in computational molecular engineering
MT Horsch, C Niethammer, G Boccardo, P Carbone, S Chiacchiera, ...
Journal of Chemical & Engineering Data 65 (3), 1313-1329, 2019
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