Sfoglia per Autore
Generation of well relaxed all atom models of stereoregular polymers: a validation of hybrid particle-field molecular dynamics for polypropylene melts of different tacticities
2020 De Nicola, A.; Munao, G.; Grizzuti, N.; Auriemma, F.; De Rosa, C.; Sevink, A.; Milano, G.
Unfolding the prospects of computational (bio)materials modeling
2020 Sevink, G. J. A.; Liwo, J. A.; Asinari, P.; Mackernan, D.; Milano, G.; Pagonabarraga, I.
Hybrid particle-field molecular dynamics under constant pressure
2020 Bore, S. L.; Kolli, H. B.; De Nicola, A.; Byshkin, M.; Kawakatsu, T.; Milano, G.; Cascella, M.
Simulation of self-heating process on the nanoscale: A multiscale approach for molecular models of nanocomposite materials
2020 Donati, G.; De Nicola, A.; Munao, G.; Byshkin, M.; Vertuccio, L.; Guadagno, L.; Le Goff, R.; Milano, G.
Efficient and realistic simulation of phase coexistence
2020 Sevink, G. J. A.; Blokhuis, E. M.; Li, X.; Milano, G.
Viscoelasticity of short polymer liquids from atomistic simulations
2019 David, A.; De Nicola, A.; Tartaglino, U.; Milano, G.; Raos, G.
Influence of Polymer Bidispersity on the Effective Particle-Particle Interactions in Polymer Nanocomposites
2019 Munao, G.; De Nicola, A.; Muller-Plathe, F.; Kawakatsu, T.; Kalogirou, A.; Milano, G.
Preface - JES focus issue on 4D materials and systems
2019 Mukundan, R.; Furukawa, H.; Milano, G.; Matsui, H.; Yoshida, T.; Sukumaran, S. K.; Koehne, J.; Hesketh, P.; Razeeb, K. M.; Magagnin, L.; Khosla, A.; Moulin, J.
Effect of the ligand's bulkiness on the shape of functionalized gold nanoparticles in aqueous solutions: A molecular dynamics study
2019 Yamanaka, T.; De Nicola, A.; Munao, G.; Soares, T. A.; Milano, G.
Nanoparticles at Biomimetic Interfaces: Combined Experimental and Simulation Study on Charged Gold Nanoparticles/Lipid Bilayer Interfaces
2019 Pfeiffer, T.; De Nicola, A.; Montis, C.; Carla, F.; Van Der Vegt, N. F. A.; Berti, D.; Milano, G.
Mesoscale Electrostatics Driving Particle Dynamics in Nonhomogeneous Dielectrics
2019 Bore, S. Lo.; Kolli, H. B.; Kawakatsu, T.; Milano, G.; Cascella, M.
All-atom model of atactic 2-vinyl pyridine polymer: Structural properties investigation by molecular dynamics simulations
2019 Caputo, S.; De Nicola, A.; Donati, G.; David, A.; Raos, G.; Milano, G.
Atomistic Model of Realistic Crystalline Mesoporous Organosilica Materials Including Nanochannels
2018 De Nicola, Antonio; Correa, Andrea; Comotti, Angiolina; Sozzani, Piero; Milano, Giuseppe
Molecular Insights into the Eutectic Tripalmitin/Tristearin Binary System
2018 Pizzirusso, A.; Peyronel, F.; Co, E. D.; Marangoni, A. G.; Milano, G.
Intramolecular structural parameters are key modulators of the gel-liquid transition in coarse grained simulations of DPPC and DOPC lipid bilayers
2018 Jaschonek, S.; Cascella, M.; Gauss, J.; Diezemann, G.; Milano, G.
Hybrid Particle-Field Model for Conformational Dynamics of Peptide Chains
2018 Bore, S. L.; Milano, G.; Cascella, M.
Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment
2018 Kolli, H. B.; De Nicola, A.; Bore, S. Lo.; Schafer, K.; Diezemann, G.; Gauss, J.; Kawakatsu, T.; Lu, Z. -Y.; Zhu, Y. -L.; Milano, G.; Cascella, M.
Molecular structure and multi-body potential of mean force in silica-polystyrene nanocomposites
2018 Munao, G.; Pizzirusso, A.; Kalogirou, A.; De Nicola, A.; Kawakatsu, T.; Muller-Plathe, F.; Milano, G.
On the calculation of the potential of mean force between atomistic nanoparticles
2018 Munaò, Gianmarco; Correa, Andrea; Pizzirusso, Antonio; Milano, Giuseppe
Self-assembly at the multi-scale level: challenges and new avenues for inspired synthetic biology modelling
2017 Milano, Giuseppe; Marzuoli, Irene; Lorenz and Franca Fraternali, Chris D.
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Generation of well relaxed all atom models of stereoregular polymers: a validation of hybrid particle-field molecular dynamics for polypropylene melts of different tacticities | 1.1 Articolo in rivista | 2020 | De Nicola, A.; Munao, G.; Grizzuti, N.; Auriemma, F.; De Rosa, C.; Sevink, A.; Milano, G. | |
| Unfolding the prospects of computational (bio)materials modeling | 1.1 Articolo in rivista | 2020 | Sevink, G. J. A.; Liwo, J. A.; Asinari, P.; Mackernan, D.; Milano, G.; Pagonabarraga, I. | |
| Hybrid particle-field molecular dynamics under constant pressure | 1.1 Articolo in rivista | 2020 | Bore, S. L.; Kolli, H. B.; De Nicola, A.; Byshkin, M.; Kawakatsu, T.; Milano, G.; Cascella, M. | |
| Simulation of self-heating process on the nanoscale: A multiscale approach for molecular models of nanocomposite materials | 1.1 Articolo in rivista | 2020 | Donati, G.; De Nicola, A.; Munao, G.; Byshkin, M.; Vertuccio, L.; Guadagno, L.; Le Goff, R.; Milano, G. | |
| Efficient and realistic simulation of phase coexistence | 1.1 Articolo in rivista | 2020 | Sevink, G. J. A.; Blokhuis, E. M.; Li, X.; Milano, G. | |
| Viscoelasticity of short polymer liquids from atomistic simulations | 1.1 Articolo in rivista | 2019 | David, A.; De Nicola, A.; Tartaglino, U.; Milano, G.; Raos, G. | |
| Influence of Polymer Bidispersity on the Effective Particle-Particle Interactions in Polymer Nanocomposites | 1.1 Articolo in rivista | 2019 | Munao, G.; De Nicola, A.; Muller-Plathe, F.; Kawakatsu, T.; Kalogirou, A.; Milano, G. | |
| Preface - JES focus issue on 4D materials and systems | 1.1 Articolo in rivista | 2019 | Mukundan, R.; Furukawa, H.; Milano, G.; Matsui, H.; Yoshida, T.; Sukumaran, S. K.; Koehne, J.; Hesketh, P.; Razeeb, K. M.; Magagnin, L.; Khosla, A.; Moulin, J. | |
| Effect of the ligand's bulkiness on the shape of functionalized gold nanoparticles in aqueous solutions: A molecular dynamics study | 1.1 Articolo in rivista | 2019 | Yamanaka, T.; De Nicola, A.; Munao, G.; Soares, T. A.; Milano, G. | |
| Nanoparticles at Biomimetic Interfaces: Combined Experimental and Simulation Study on Charged Gold Nanoparticles/Lipid Bilayer Interfaces | 1.1 Articolo in rivista | 2019 | Pfeiffer, T.; De Nicola, A.; Montis, C.; Carla, F.; Van Der Vegt, N. F. A.; Berti, D.; Milano, G. | |
| Mesoscale Electrostatics Driving Particle Dynamics in Nonhomogeneous Dielectrics | 1.1 Articolo in rivista | 2019 | Bore, S. Lo.; Kolli, H. B.; Kawakatsu, T.; Milano, G.; Cascella, M. | |
| All-atom model of atactic 2-vinyl pyridine polymer: Structural properties investigation by molecular dynamics simulations | 1.1 Articolo in rivista | 2019 | Caputo, S.; De Nicola, A.; Donati, G.; David, A.; Raos, G.; Milano, G. | |
| Atomistic Model of Realistic Crystalline Mesoporous Organosilica Materials Including Nanochannels | 1.1 Articolo in rivista | 2018 | De Nicola, Antonio; Correa, Andrea; Comotti, Angiolina; Sozzani, Piero; Milano, Giuseppe | |
| Molecular Insights into the Eutectic Tripalmitin/Tristearin Binary System | 1.1 Articolo in rivista | 2018 | Pizzirusso, A.; Peyronel, F.; Co, E. D.; Marangoni, A. G.; Milano, G. | |
| Intramolecular structural parameters are key modulators of the gel-liquid transition in coarse grained simulations of DPPC and DOPC lipid bilayers | 1.1 Articolo in rivista | 2018 | Jaschonek, S.; Cascella, M.; Gauss, J.; Diezemann, G.; Milano, G. | |
| Hybrid Particle-Field Model for Conformational Dynamics of Peptide Chains | 1.1 Articolo in rivista | 2018 | Bore, S. L.; Milano, G.; Cascella, M. | |
| Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment | 1.1 Articolo in rivista | 2018 | Kolli, H. B.; De Nicola, A.; Bore, S. Lo.; Schafer, K.; Diezemann, G.; Gauss, J.; Kawakatsu, T.; Lu, Z. -Y.; Zhu, Y. -L.; Milano, G.; Cascella, M. | |
| Molecular structure and multi-body potential of mean force in silica-polystyrene nanocomposites | 1.1 Articolo in rivista | 2018 | Munao, G.; Pizzirusso, A.; Kalogirou, A.; De Nicola, A.; Kawakatsu, T.; Muller-Plathe, F.; Milano, G. | |
| On the calculation of the potential of mean force between atomistic nanoparticles | 1.1 Articolo in rivista | 2018 | Munaò, Gianmarco; Correa, Andrea; Pizzirusso, Antonio; Milano, Giuseppe | |
| Self-assembly at the multi-scale level: challenges and new avenues for inspired synthetic biology modelling | 2.1 Contributo in volume (Capitolo o Saggio) | 2017 | Milano, Giuseppe; Marzuoli, Irene; Lorenz and Franca Fraternali, Chris D. |
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