Politecnico di Milano
 Dipartimento di Chimica, Materiali e Ingegneria Chimica "Giulio Natta"
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GUIDO RAOS


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Dept. of Chemistry, Materials and Chemical Engineering "Giulio Natta"
Politecnico di Milano
Via Mancinelli, 7 - 20131 Milano (MI)
Office: 7.2.6 Famulari
Phone: +39.02.2399.3051
Fax: +39.02.2399.3080
E-mail: guido.raos@polimi.it
Education

Degree in Chemistry, University of Milan (1989). Supervisor: Prof. Mario Raimondi.
Ph.D. in Theoretical Chemistry, University of Bristol, UK (1993). Supervisor: Dr. Joseph Gerratt.


Academic career

Post-doctoral position in the group of Prof. Giuseppe Allegra at the Milan Polytechnic (1993-1997).
Ricercatore (assistant professor) from 1997 to 2007.
Professore associato (associate professor) since November 2007.


Teaching activity

General Chemistry courses for first-year engineering students.


Research interests

* Molecular simulation with classical and quantum mechanical methods of organic materials, in particular pi-conjugated semiconductors (e.g. oligo- and polythiophenes for "organic electronics" applications).

* Statistical mechanics and simulation of polymer networks, polymers at surfaces and polymer-based nanocomposites (e.g. filled rubber).


Publications

About 60 research papers, including:

G. Allegra, G. Raos and M. Vacatello, "Theories and simulations of polymer-based nanocomposites: From chain statistics to reinforcement", Prog. Polym. Sci., in press (2008).

M. Moreno, A. Mele, G. Raos et al., "Interaction of Water with the Model Ionic Liquid [bmim][BF4]: Molecular Dynamics Simulations and Comparison with NMR Data", J. Phys. Chem. B, in press (2008).

G. Raos, M. Moreno and S. Elli, "Computational Experiments on Filled Rubber Viscoelasticity: What is the Role of Particle-Particle Interactions?", Macromolecules 39, 6744 (2006).

M. Campione, V. Marcon, G. Raos et al., "Organic-Organic Epitaxy of Incommensurate Systems: Quaterthiophene on Potassium Hydrogen Phthalate Single Crystals", J. Am. Chem. Soc. 128, 13378 (2006).

V. Marcon, G. Raos, M. Campione, A. Sassella, "Incommensurate Epitaxy of Tetrathiophene on Potassium Hydrogen Phthalate: Insights from Molecular Simulation", Cryst. Growth Des. 6, 1826 (2006).

V. Marcon, N. van der Vegt, G. Wegner and G. Raos, "Modeling of Molecular Packing and Conformation in Oligofluorenes", J. Phys. Chem. B 110, 5253 (2006).

V. Marcon and G. Raos, "Free Energies of Molecular Crystal Surfaces by Computer Simulation: Application to Tetrathiophene", J. Am. Chem. Soc. 128, 1408 (2006).

G. Allegra, G. Raos "Sliding friction between polymer surfaces: A molecular interpretation", J. Chem. Phys. 124, 144713 (2006).

A. Mele, G. Raos et al., "The Local Structure of Ionic Liquids: Cation-Cation NOE Interactions and Internuclear Distances in Neat [BMIM+][BF4-] and [BDMIM+][BF4-]", Angew. Chem. Int. Ed. 45, 1123 (2006).

M. Malvaldi, G. Allegra, F. Ciardelli and G. Raos, "Structure of an Associating Polymer Melt in a Narrow Slit by Molecular Dynamics Simulation", J. Phys. Chem. B 109, 18117 (2005).

G. Allegra, G. Raos, C. Manassero "Polymer-mediated adhesion: A statistical approach", J. Chem. Phys. 119, 9295 (2003).

G. Raos, A. Famulari, S. V. Meille, M. C. Gallazzi and G. Allegra, "Interplay of Conformational States and Nonbonded Interactions in Substituted Bithiophenes", J. Phys. Chem. A 108, 691 (2004).

G. Raos, "Application of the Christensen-Lo model to the reinforcement of elastomers by fractal fillers", Macromol. Theory Simul. 12, 7 (2003).

G. Raos, "Degrees of Chirality in Helical Structures", Macromol. Theory Simul. 11, 739 (2002).

G. Raos and G. Allegra, "Mesoscopic bead-and-spring model of hard spherical particles in a rubber matrix. I. Hydrodynamic reinforcement", J. Chem. Phys. 113, 7554 (2000).

G. Valerio, G. Raos, S. V. Meille, P. Metrangolo and G. Resnati, "Halogen bonding in fluoroalkylhalides: a quantum chemical study of increasing fluorine substitution", J. Phys. Chem. A 104, 1617 (2000).

G. Raos, S.J. McNicholas, J. Gerratt, D.L. Cooper and P.B. Karadakov, "Antiferromagnetic spin couplings in cyclobutadiene chains", J. Phys. Chem. B 101, 6688 (1997).

G. Raos and G. Allegra, "A Cluster of Chains Can Be Smaller Than a Single Chain: New Interpretation of Kinetics of Collapse Experiments", Macromolecules 29, 8565 (1996).

G. Raos and G. Allegra, "Chain collapse and phase separation in poor-solvent polymer solutions: a unified molecular description", J. Chem. Phys. 104, 1626 (1996).

G. Raos, J. Gerratt, P.B. Karadakov, D.L. Cooper, M. Raimondi, "Aromatic electrophilic substitution. A modern valence bond study", J. Chem. Soc. Faraday Trans. 91, 4011 (1995).

G. Raos, J. Gerratt, D.L. Cooper, M. Raimondi, "Spin correlation in pi-electron systems from spin-coupled wavefunctions. I. Theory and first applications", Chem. Phys. 186, 233 (1994).


Links

Versione italiana di questa pagina web


Further information

I have run a few marathons:
Milano (8/10/2006): 4 hours 14 mins.
Treviso (25/3/2007): 3 hours 28 mins.
Monza-Resegone (23/6/2007): 5 hours 5 mins.
Milano (2/12/2007): 3 hours 47 mins.
Vercelli (1/5/2008): 3 hours 39 mins.
Monza-Resegone (21/6/2008): 4 hours 55 mins.


Created: 2002-10-22 13:58:41.923 Last Update: 2008-09-24 16:27:22.605