D'Avino, Gabriele; Muccioli, Luca; Zannoni, Claudio, From Chiral Islands to Smectic Layers: A Computational Journey Across Sexithiophene Morphologies on C-60, «ADVANCED FUNCTIONAL MATERIALS», 2015, 25, pp. 1985 - 1995 [Scientific article]
Palermo, Mattia Felice; Muccioli, Luca; Zannoni, Claudio, Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulation, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2015, 17, pp. 26149 - 26159 [Scientific article]
Moral, M; Muccioli, L.; Son, W.-J.; Olivier, Y.; Sancho-Garcia, J.C., Theoretical rationalization of the singlet-triplet gap in oleds materials: Impact of charge-transfer character, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2015, 11, pp. 168 - 177 [Scientific article]Open Access
J. Idé; R. Méreau; L. Ducasse ; F. Castet; H. Bock; Y. Olivier; J. Cornil; D. Beljonne; G. D’Avino; O. M. Roscioni; L.Muccioli; C. Zannoni, Charge Dissociation at Interfaces between Discotic Liquid Crystals: The Surprising Role of Column Mismatch, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2014, 136, pp. 2911 - 2920 [Scientific article]
Castet, Frédéric; D'Avino, Gabriele; Muccioli, Luca; Cornil, Jérôme; Beljonne, David, Charge separation energetics at organic heterojunctions: On the role of structural and electrostatic disorder, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2014, 16, pp. 20279 - 20290 [Scientific article]
Gabriele D’Avino;Luca Muccioli;Claudio Zannoni;David Beljonne;Zoltán G. Soos, Electronic Polarization in Organic Crystals: A Comparative Study of Induced Dipoles and Intramolecular Charge Redistribution Schemes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2014, 10, pp. 4959 - 4971 [Scientific article]
Alexander Mityashin; Otello Maria Roscioni; Luca Muccioli; Claudio Zannoni; Victor Geskin; Jerome Cornil; Dimitri Janssen; Soeren Steudel; Jan Genoe; Paul Heremans, Multiscale Modeling of the Electrostatic Impact of Self-Assembled Monolayers used as Gate Dielectric Treatment in Organic Thin-Film Transistors, «ACS APPLIED MATERIALS & INTERFACES», 2014, 6, pp. 15372 - 15378 [Scientific article]
Antonio Pizzirusso; Maria Enrica Di Pietro; Giuseppina De Luca; Giorgio Celebre; Marcello Longeri; Luca Muccioli; Claudio Zannoni, Order and Conformation of Biphenyl in Cyanobiphenyl Liquid Crystals: A Combined Atomistic Molecular Dynamics and1H NMR Study, «CHEMPHYSCHEM», 2014, 15, pp. 1356 - 1367 [Scientific article]
Yoann Olivier; Luca Muccioli; Claudio Zannoni, Quinquephenyl: The Simplest Rigid-Rod-Like Nematic Liquid Crystal, or is it? An Atomistic Simulation, «CHEMPHYSCHEM», 2014, 15, pp. 1345 - 1355 [Scientific article]
Luca Muccioli;Gabriele D’Avino;Roberto Berardi;Silvia Orlandi;Antonio Pizzirusso;Matteo Ricci;Otello Maria Roscioni;Claudio Zannoni, Supramolecular Organization of Functional Organic Materials in the Bulk and at Organic/Organic Interfaces: A Modeling and Computer Simulation Approach, in: Multiscale Modelling of Organic and Hybrid Photovoltaics, Berlin, Springer, 2014, pp. 39 - 101 (TOPICS IN CURRENT CHEMISTRY) [Chapter or essay]
Mattia Felice Palermo;Antonio Pizzirusso;Luca Muccioli;Claudio Zannoni, An atomistic description of the nematic and smectic phases of 4-n-octyl-4ʹ cyanobiphenyl (8CB), «THE JOURNAL OF CHEMICAL PHYSICS», 2013, 138, pp. 204901 - 204901.16 [Scientific article]
Gabriele D’Avino;Sébastien Mothy;Luca Muccioli;Claudio Zannoni;Linjun Wang;Jérôme Cornil;David Beljonne;Frédéric Castet, Energetics of Electron–Hole Separation at P3HT/PCBM Heterojunctions, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2013, 117, pp. 12981 - 12990 [Scientific article]
J. Cornil; S. Verlaak; N. Martinelli; A. Mityashin; Y. Olivier; T. Van Regemorter; G. D'Avino; L. Muccioli; C. Zannoni; F. Castet; D. Beljonne; P. Heremans, Exploring the energy landscape of the charge transport levels in organic semiconductors at the molecular scale, «ACCOUNTS OF CHEMICAL RESEARCH», 2013, 46, pp. 434 - 443 [Scientific article]
Vincent Lemaur;Luca Muccioli;Claudio Zannoni;David Beljonne;Roberto Lazzaroni;Jérôme Cornil;Yoann Olivier, On the Supramolecular Packing of High Electron Mobility Naphthalene Diimide Copolymers: The Perfect Registry of Asymmetric Branched Alkyl Side Chains, «MACROMOLECULES», 2013, 46, pp. 8171 - 8178 [Scientific article]
Otello Maria Roscioni;Luca Muccioli;Raffaele Guido Della Valle;Antonio Pizzirusso;Matteo Ricci;Claudio Zannoni, Predicting the Anchoring of Liquid Crystals at a Solid Surface: 5-Cyanobiphenyl on Cristobalite and Glassy Silica Surfaces of Increasing Roughness, «LANGMUIR», 2013, 29, pp. 8950 - 8958 [Scientific article]
