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Reisjalali, Maryam, Manurung, Rex, Carbone, Paola and Troisi, Alessandro 
ORCID: 0000-0002-5447-5648
(2022)
Development of hybrid coarse-grained atomistic models for rapid assessment of local structuring of polymeric semiconductors.
MOLECULAR SYSTEMS DESIGN & ENGINEERING, 7 (3).
pp. 294-305.
Elliott, Joshua D, Chiricotto, Mara, Troisi, Alessandro ORCID: 0000-0002-5447-5648 and Carbone, Paola
(2023)
Do specific ion effects influence the physical chemistry of aqueous graphene-based supercapacitors? Perspectives from multiscale QMMD simulations.
CARBON, 207.
pp. 292-304.
Elliott, Joshua D, Troisi, Alessandro ORCID: 0000-0002-5447-5648 and Carbone, Paola
(2020)
A QM/MD Coupling Method to Model the Ion-Induced Polarization of Graphene.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 16 (8).
pp. 5253-5263.
Landi, Alessandro, Reisjalali, Maryam, Elliott, Joshua D, Matta, Micaela ORCID: 0000-0002-9852-3154, Carbone, Paola and Troisi, Alessandro ORCID: 0000-0002-5447-5648
(2023)
Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model.
JOURNAL OF MATERIALS CHEMISTRY C, 11 (24).
pp. 8062-8073.