| Mapping atomistic simulations to mesoscopic models: A systematic coarse-graining procedure for vinyl polymer chains G Milano, F Müller-Plathe The Journal of Physical Chemistry B 109 (39), 18609-18619, 2005 | 291 | 2005 |
| Coarse-grained and reverse-mapped united-atom simulations of long-chain atactic polystyrene melts: Structure, thermodynamic properties, chain conformation, and entanglements T Spyriouni, C Tzoumanekas, D Theodorou, F Müller-Plathe, G Milano Macromolecules 40 (10), 3876-3885, 2007 | 218 | 2007 |
| GALAMOST: GPU‐accelerated large‐scale molecular simulation toolkit YL Zhu, H Liu, ZW Li, HJ Qian, G Milano, ZY Lu Journal of Computational Chemistry 34 (25), 2197-2211, 2013 | 184 | 2013 |
| Shape and volume of cavities in thermoplastic molecular sieves based on syndiotactic polystyrene G Milano, V Venditto, G Guerra, L Cavallo, P Ciambelli, D Sannino Chemistry of materials 13 (5), 1506-1511, 2001 | 182 | 2001 |
| Thermoplastic molecular sieves G Guerra, G Milano, V Venditto, P Musto, C De Rosa, L Cavallo Chemistry of Materials 12 (2), 363-368, 2000 | 130 | 2000 |
| Hybrid particle-field molecular dynamics simulations for dense polymer systems G Milano, T Kawakatsu The Journal of chemical physics 130 (21), 214106, 2009 | 119 | 2009 |
| From mesoscale back to atomistic models: A fast reverse-mapping procedure for vinyl polymer chains G Santangelo, A Di Matteo, F Müller-Plathe, G Milano The Journal of Physical Chemistry B 111 (11), 2765-2773, 2007 | 109 | 2007 |
| Site chirality as a messenger in chain-end stereocontrolled propene polymerization G Milano, L Cavallo, G Guerra Journal of the American Chemical Society 124 (45), 13368-13369, 2002 | 106 | 2002 |
| Multicentered Gaussian‐based potentials for coarse‐grained polymer simulations: Linking atomistic and mesoscopic scales G Milano, S Goudeau, F Müller‐Plathe Journal of Polymer Science Part B: Polymer Physics 43 (8), 871-885, 2005 | 95 | 2005 |
| Understanding the interaction of block copolymers with DMPC lipid bilayer using coarse-grained molecular dynamics simulations S Hezaveh, S Samanta, A De Nicola, G Milano, D Roccatano The journal of physical chemistry B 116 (49), 14333-14345, 2012 | 78 | 2012 |
| Understanding at molecular level of nanoporous and co-crystalline materials based on syndiotactic polystyrene G Milano, G Guerra Progress in materials science 54 (1), 68-88, 2009 | 78 | 2009 |
| Anisotropic diffusion of small penetrants in the δ crystalline phase of syndiotactic polystyrene: a molecular dynamics simulation study G Milano, G Guerra, F Müller-Plathe Chemistry of materials 14 (7), 2977-2982, 2002 | 78 | 2002 |
| Orientation and microenvironment of naphthalene guest in the host nanoporous phase of syndiotactic polystyrene V Venditto, G Milano, A De Girolamo Del Mauro, G Guerra, J Mochizuki, ... Macromolecules 38 (9), 3696-3702, 2005 | 76 | 2005 |
| Gold nanoparticle/polymer interfaces: All atom structures from molecular dynamics simulations G Milano, G Santangelo, F Ragone, L Cavallo, A Di Matteo The Journal of Physical Chemistry C 115 (31), 15154-15163, 2011 | 75 | 2011 |
| Hybrid particle‐field molecular dynamics simulations: Parallelization and benchmarks Y Zhao, A De Nicola, T Kawakatsu, G Milano Journal of Computational Chemistry 33 (8), 868-880, 2012 | 72 | 2012 |
| Anisotropic guest diffusion in the δ crystalline host phase of syndiotactic polystyrene: transport kinetics in films with three different uniplanar orientations of the host phase V Venditto, A De Girolamo Del Mauro, G Mensitieri, G Milano, P Musto, ... Chemistry of materials 18 (9), 2205-2210, 2006 | 72 | 2006 |
| Hybrid particle-field coarse-grained models for biological phospholipids A De Nicola, Y Zhao, T Kawakatsu, D Roccatano, G Milano Journal of Chemical Theory and Computation 7 (9), 2947-2962, 2011 | 66 | 2011 |
| Chlorinated guest orientation and mobility in clathrate structures formed with syndiotactic polystyrene AR Albunia, S Di Masi, P Rizzo, G Milano, P Musto, G Guerra Macromolecules 36 (23), 8695-8703, 2003 | 66 | 2003 |
| Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solvents S Hezaveh, S Samanta, G Milano, D Roccatano The Journal of Chemical Physics 136 (12), 124901, 2012 | 63 | 2012 |
| Stereoselective cyclopropanation by cyclocopolymerization of butadiene S Pragliola, G Milano, G Guerra, P Longo Journal of the American Chemical Society 124 (14), 3502-3503, 2002 | 59 | 2002 |
Gaetano GuerraProfessor of Industrial Chemistry, University of SalernoVerified email at unisa.it
