Dr. Giuseppe Milano

Tel : 089-96-9567  -  Fax : 089-96-9603   -  Email : [email protected]
CV: pdf version
Curriculum vitae

1995 March Laurea in Chemistry cum laude at the University of Napoli, supervisor Prof. Vincenzo Barone, thesis entitled: “Developments and applications of computational strategies to study proton transfer reactions in excited states”

1995 September Stage in theoretical chemistry methods applied to free radicals in bio-molecules in the laboratory directed by Prof. Robert Subra, University Joseph Fourier of Grenoble, FRANCE.

1999 Ph.D. in Chemistry at the University of Salerno, supervisor Prof. Gaetano Guerra,  thesis entitled: “Study and characterization of Host-Guest interactions in nanoporous polymeric semicrystalline materials”

1999 One year post-doctoral grant from Basell Polyolefins Italy on the project: "Theoretical studies on Ziegler-Natta catalysts for the polymerization of propene"

2000  Post-doctoral position at the University of Salerno on the project: “Molecular simulations of thermoplastic molecular sieves based on syndiotatctic polystyrene”

2000 Visiting scientist at Max-Planck-Institut für Polymerforschung Mainz, GERMANY
in the Polymer Theory Group Directed by Prof. Kremer for "Molecular dynamics simulations studies of transport properties of polymers".
 

2002  Renewal of the post-doctoral position at University of Salerno

2002 November up to now   Assistant Professor (Ricercatore) at University of Salerno

2004-2005 Research Fellow of Alexander von Humboldt Stiftung, at International University
Bremen GERMANY hosted by Prof. Dr. Florian Müller-Plathe title of the research project: ”Atomistic and Coarse Grained Simulation of Polymer Interfaces”

 

Teaching
-Introduction to Scientific Programming in Chemistry
-Polymer Physical Chemistry

 

Research Activity

Soft condensed matter and reaction mechanisms are the general subjects of my research activity. Particular interest is devoted to development and applications of computational methods for modelling systems across time and length scales. The areas of interest span from understanding structure and function relationship in polymeric materials, catalysis, host guest interactions to systems of biological interest. Below a list of the main research topics is reported:

-Polymer Coarse-Graining
-Atomistic Simulations of polymers and/or biopolymers
-Polymerisation Mechanisms
-Host guest interactions in nanoporous materials
-Interaction of Synthetic Polymers and Biomembranes
-Automatic Optimization of Force-Fields

 

Selected Publications
1) Milano, G.; Cavallo, L.; Guerra, G. 
J. Am. Chem. Soc., 2002, 63, 13368-13369.
Site Chirality as a Messenger in Chain-End Stereocontrolled Propene Polymerization.

2) Pragliola, S.; Milano, G.; Guerra, G.; Longo, P.
J. Am. Chem. Soc., 2002, 124, 3502-3503.
Stereoselective Cyclopropanation by Cyclocopolymerization of Butadiene .

3) Longo, P.; Pragliola, S.; Milano, G.; Guerra, G.
J. Am. Chem. Soc., 2003, 125, 4799-4803.
E Stereoregular 1,1 and 1,3 Constitutional Units from 1,3-Butadiene in Copolymerizations Catalyzed by a Highly Hindered C2 Symmetric Metallocene.

4) Albunia, A. R.; Milano, G.; Venditto, V.; Guerra, G.
J. Am. Chem. Soc., 2005, 127, 13114-13115.
A Clear-Cut Experimental Method to Discriminate between In-Plane and Out-of-Plane Molecular Transition Moments.

5) Milano, G.; Guerra, G.; Mueller-Plathe, F.
Chemistry of  Materials, 2002, 14, 2977-2982.
Anisotropic Diffusion of Small Penetrants in the Crystalline Phase of Syndiotactic Polystyrene: A Molecular Dynamics Simulation Study.

6) Milano, G.; Muller-Plathe, F.
J. Phys. Chem. B., 2005, 109, 18609-18619.
Mapping Atomistic Simulations to Mesoscopic Models: A Systematic Coarse-Graining Procedure for Vinyl Polymer Chains.

7) Pal, S.; Milano, G.; Roccatano, D.
J. Phys. Chem. B., 2006, 110, 26170-26179.
Synthetic Polymers and Biomembranes. How Do They Interact?: Atomistic Molecular Dynamics Simulation Study of PEO in Contact with a DMPC Lipid Bilayer.

8) Albunia, A. R.; Gaeta, C.; Neri, P.; Grassi, A.; Milano, G.
J. Phys. Chem. B., 2006; 110, 19207-19214.
Dynamics of Benzene Guest Inside a Self-Assembled Cylindrical Capsule: A Combined Solid-State 2H NMR and Molecular Dynamics Simulation Study.

9) Milano, G.; Mueller-Plathe, F
J. Phys. Chem. B., 2004; 108, 7415-7423.
Cyclohexane-Benzene Mixtures: Thermodynamics and Structure from Atomistic Simulations.

10) Milano, G.; Guerra, G.; Mazzeo, M.; Pellecchia, C.; Cavallo, L.
Macromolecules 2005, 38, 2072-2075.
(E)-(Z) Selectivity in the Polymerization of 2-Butene Promoted by Ni(II) Brookhart-Type Catalysts.




Collaborations

Prof.  Mueller Plathe  Eduard-Zintl-Institut fuer Anorganische und Physikalische Chemie Technische Universitaet Darmstadt Germany, Dr. Danilo Roccatano Lecturer at School of Engineering and Science International University Bremen Germany, Prof. Dr. Doros N. Theodorou  National Technical University of Athens Department of Chemical Engineering Greece, Dr. Sandeep Pal Biosystems Informatics Institute, Bioscience Centre, International Centre for Life Times Square, NE1 4EP Newcastle upon Tyne, United Kingdom.

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