Luca Muccioli

Dipartimento di Chimica Fisica e Inorganica
Universita' di Bologna
Viale Risorgimento 4
40136 Bologna (Italia)

E-mail: luca.muccioli at unibo.it
Phone: +39-051-2093387
Fax: +39-051-2093690

Personal data

  • born April 7, 1973 in Ravenna, Italy
  • nationality: Republic of San Marino
  • languages: Italian, English, French.

  • 1986-1992: High School Education, Liceo Scientifico G.R.Curbastro, Lugo (RA)
  • 1992-1998: Degree in Industrial Chemistry, University of Bologna, thesis advisors: prof. Riccardo Tarroni, prof. Paolo Palmieri
  • 1999: predoctoral fellow in the group of prof. Claudio Zannoni
  • 2000-2003: PhD in Chemistry, University of Bologna, advisor: prof. Claudio Zannoni
  • Jan 2005-Apr 2005: Visiting postdoc at the Laboratory for Chemistry of Novel Materials, Mons (B)
  • 2003-present: postdoctoral fellow in the group of prof. Claudio Zannoni (group website)
  • currently I am working for the EU project "MINOTOR"


    Research Interests

  • Computer Simulations of Self Assembling Materials
  • Computer Simulations of Proteins and other Polymers
  • Computer Simulations of Organic Semiconductors
  • Charge and Energy Transport
  • Intermolecular Potentials
  • Molecular Modeling
  • Chirality and Solvation Effects
  • Molecular Dynamics and Monte Carlo Techniques
  • Scientific Programming in Fortran 90

  • Researcher ID: link

    Publications

    Articles & Reviews

    33
    A. C. J. Weber, A. Pizzirusso, L. Muccioli, C. Zannoni, W. L. Meerts, C. A. de Lange, E. E. Burnell
    "Efficient analysis of highly complex Nuclear Magnetic Resonance spectra of flexible solutes in ordered liquids by using Molecular Dynamics"
    J. Chem. Phys., 136, 174506 (2012)
    32
    A. Pizzirusso, M. B. Di Cicco, G. Tiberio, L. Muccioli, R. Berardi, C. Zannoni
    "Alignment of small organic solutes in a nematic solvent: the effect of electrostatic interactions"
    J. Phys. Chem. B, 116, 3760-3771 (2012)
    31
    M. Lamarra, L. Muccioli, S. Orlandi, C. Zannoni
    "Temperature dependence of charge mobility in model discotic liquid crystals"
    PhysChemChemPhys, 14, 5368-5375 (2012)
    30
    A. Pizzirusso, R. Berardi, L. Muccioli, M. Ricci, C. Zannoni
    "Predicting surface anchoring: molecular organization across a thin film of 5CB liquid crystal on silicon"
    Chem. Sci., 3, 573-579 (2012)
    29
    P. Sukul, D. Asthana, P. Mukhopadhyay, D. Summa, L. Muccioli, C. Zannoni, D. Beljonne, A. Rowan, S. Malik
    "Assemblies of Perylene Diimide Derivatives with Melamine into Luminescent Hydrogels"
    Chem. Commun., 47, 11858-11860 (2011)
    28
    L. Muccioli, G. D'Avino, C. Zannoni
    "Simulation of vapor-phase deposition and growth of a pentacene thin film on C60 (001)"
    Adv. Mater., 23, 4532-4536 (2011)
    27
    T. A. Papadopoulos, L. Muccioli, S. Athanasopoulos, A. B. Walker, C. Zannoni, D. Beljonne
    "Does supramolecular ordering influence exciton transport in conjugated systems? Insight from atomistic simulations"
    Chem. Sci., 2, 1025-1032 (2011)
    26
    M. Gonidec, R. Biagi, V. Corradini, F. Moro, V. De Renzi, U. del Pennino, D. Summa, L. Muccioli, C. Zannoni, D. B. Amabilino, J. Veciana
    "Surface supramolecular organization of a terbium (III) double-decker complex on graphite and its single molecule magnet behavior"
    J. Am. Chem. Soc., 133, 6603-6612 (2011)
    25
    D. Beljonne, J. Cornil, L. Muccioli, C. Zannoni, J.-L. Brédas, F. Castet
    "Electronic Processes at Organic-Organic Interfaces: Insight from Modeling and Implications for Opto-Electronic Devices"
    Chem. Mater., 23, 591-609 (2011)
    24
    A. Pizzirusso, M. Savini, L. Muccioli, C. Zannoni
    "An atomistic simulation of the liquid-crystalline phases of sexithiophene"
    J. Mater. Chem., 21, 125-133 (2011)
    23
    G. Tiberio, L. Muccioli, R. Berardi, C. Zannoni
    "How does the trans-cis photoisomerization of azobenzene take place in organic solvents?
    ChemPhysChem, 11, 1018-1028 (2010)
    22
    Y. Olivier, L. Muccioli, V. Lemaur, Y. H. Geerts, C. Zannoni, J. Cornil
    "Theoretical Characterization of the Structural and Hole Transport Dynamics in Liquid-Crystalline Phthalocyanine Stacks"
    J. Phys. Chem. B, 113, 14102-14111 (2009)
    21
    S. Orlandi, L. Muccioli, M. Ricci, C. Zannoni
    "Self assembled fullerene walls in di-mesogenic-C60 materials"
    Soft Matter 5, 4484-4491 (2009)
    20
    N. G. Martinelli, M. Savini, L. Muccioli, Y. Olivier, F. Castet, C. Zannoni and J. Cornil
    "Modeling polymer dielectrics/pentacene interfaces: on the role of electrostatic energy disorder on charge carrier mobility"
    Adv. Funct. Mater. 19, 3254-3261 (2009)
    19
    O. Francescangeli, V. Stanic, S. I. Torgova, A. Strigazzi, N. Scaramuzza, C. Ferrero, I. P. Dolbnya, T. M. Weiss, R. Berardi, L. Muccioli, S. Orlandi, and C. Zannoni
    "Ferroelectric response and induced biaxiality in the nematic phase of bent-core mesogens"
    Adv. Funct. Mater. 19, 2592-2600 (2009)
    18
    A. Pietropaolo, L. Muccioli, E. Rizzarelli, C. Zannoni
    "Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals"
    ChemPhysChem 10, 1500-1510 (2009)
    17
    G. Tiberio, L. Muccioli, R. Berardi, C. Zannoni
    "Towards in silico liquid crystals. Realistic transition temperatures and physical properties for n-cyanobiphenyls via molecular dynamics simulations"
    ChemPhysChem 10, 125-136 (2009)
    16
    R. Berardi, L. Muccioli, S. Orlandi, M. Ricci, C. Zannoni
    "Computer simulations of biaxial nematics"
    J. Phys.:Condens. Matter 20, 463101 (2008)
    15
    A. Pietropaolo, L. Muccioli, C. Zannoni, D. La Mendola, G. Maccarone, G. Pappalardo, E. Rizzarelli
    "Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain."
    J. Phys. Chem. B 112, 5182-5188 (2008)
    14
    C. Bacchiocchi, E. Hennebicq, S. Orlandi, L. Muccioli, D. Beljonne, C. Zannoni
    "A reduced distributed monopole model for the efficient prediction of energy transfer in condensed phases"
    J. Phys. Chem. B 112, 1752-1760 (2008)
    13
    R. Berardi, L. Muccioli, C. Zannoni
    "Field Response and Switching Times in Biaxial Nematics"
    J. Chem. Phys. 128, 024905 (2008)
    12
    A. Pietropaolo, L. Muccioli, R. Berardi, C. Zannoni
    "A chirality index for investigating protein secondary structures and their time evolution"
    Proteins 70, 667-677 (2008)
    11
    I. Miglioli, L. Muccioli, S. Orlandi, M. Ricci, R. Berardi, C. Zannoni
    "A computer simulation of model discotic dimers"
    Theor. Chem. Acc. 118, 203-210 (2007)
    10
    A. Pietropaolo, L. Raiola, L. Muccioli, G. Tiberio, C. Zannoni, R. Fattorusso, C. Isernia, D. La Mendola, G. Pappalardo, E. Rizzarelli
    "An NMR and Molecular Dynamics investigation of the avian prion hexarepeat conformational features in solution"
    Chem. Phys. Lett. 442, 110-118 (2007)
    9
    S. Orlandi, L. Muccioli, M. Ricci, R. Berardi, C. Zannoni
    "Core charge distribution and self assembly of columnar phases: the case of triphenylenes and azatriphenylenes"
    Chemistry Central Journal 1, 15 (2007)
    8
    L. Muccioli, R. Berardi, S. Orlandi, M. Ricci, C. Zannoni
    "Molecular properties and stacking of 1-substituted hexa-alkoxy-triphenylenes"
    Theor. Chem. Acc. 117, 1085-1092 (2007)
    7
    R. Berardi, A. Costantini, L. Muccioli, S. Orlandi, C. Zannoni
    "A computer simulation study of the formation of liquid crystal nanodroplets from a homogeneous solution"
    J. Chem. Phys. 126, 044905 (2007)
    6
    L. Muccioli, C. Zannoni
    "A deformable Gay-Berne model for the simulation of liquid crystals and soft materials"
    Chem. Phys. Lett. 423, 1-6 (2006)
    5
    D. Micheletti, L. Muccioli, R. Berardi, M. Ricci, C. Zannoni
    "Effect of nanoconfinement on liquid crystal polymer chains"
    J. Chem. Phys. 123, 224705 (2005)
    4
    R. Berardi, G. Cainelli, P. Galletti, D.Giacomini, A. Gualandi, L. Muccioli, C. Zannoni
    "Can the pi-facial selectivity of solvation be predicted by atomistic simulation?"
    J. Am. Chem. Soc. 127, 10699-10706 (2005)
    3
    R. Berardi, D. Micheletti, L. Muccioli, M. Ricci, C. Zannoni
    "A computer simulation study of the influence of a liquid crystal medium on polymerization"
    J. Chem. Phys. 121, 9123-9130 (2004)
    2
    R. Berardi, L. Muccioli, S. Orlandi, M. Ricci, C. Zannoni
    "Mimicking electrostatic interactions with a set of effective charges. A genetic algorithm"
    Chem. Phys. Lett. 389, 373-378 (2004)
    1
    R. Berardi, L. Muccioli, C. Zannoni
    "Can nematic transitions be predicted by atomistic simulations? A computational study of the odd-even effect"
    ChemPhysChem 5, 104-111 (2004)

    Other publications

    2
    D. Beljonne, P. Brocorens, J. Cornil, R. Lazzaroni, N. G. Martinelli, A. Minoia, L. Muccioli, Y. Olivier, M. C. Ruiz-Delgado, C. Zannoni
    "Charge Transport in Organic Semiconductors: A Multiscale Modelling''
    in "Functional Supramolecular architectures for organic electronics and nanotechnology"
    Editors F. Cacialli, P. Samorì , Wiley-VCH, ISBN: 978-3-527-32611-2 (2010)
    1
    Y. Olivier, L. Muccioli, C. Zannoni, J. Cornil
    "Charge transport in conjugated materials: from theoretical models to experimental systems"
    AIP Conf. Proc. 1046, 32 (2008)
    all publications are available in electronic format upon request

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    Last update: May 3, 2012

    A certaines personnes, peut-etre, il est arrive' de faire l'amour dans un etat de pleine lucidite' ; je ne les envie pas. Tout ce que je suis, moi, arrive' a faire dans un etat de pleine lucidite', ce sont mes comptes ; ou ma valise.
    [Michel Houellebecq]