Sfoglia per Autore
Partition by molecular weight of polymer brushes: A combined reactive grand canonical Monte Carlo and self-consistent field investigation of grafting to processes
2024 Brondi, C.; Baldanza, A.; Chiarcos, R.; Laus, M.; Scherillo, G.; Mensitieri, G.; Milano, G.
Bacterial lipids drive compartmentalization on the nanoscale
2023 DE NICOLA, Antonio; Montis, Costanza; Donati, Greta; Molinaro, Antonio; Silipo, Alba; Balestri, Arianna; Berti, Debora; DI LORENZO, Flaviana; Zhu, You-Liang; Milano, Giuseppe
All-Atom Molecular Dynamics Simulations of Poly(2,6-dimethyl-1,4-phenylene) Oxide: Validation of OPLS-AA Force Field for Conformational Behaviour in Vacuum and in Carbon Tetrachloride
2023 Venezia, E.; Auriemma, F.; Odda Ruiz de, Ballestreros; Gaetano, Guerra.; Milano, G.; Correa, A.
Hybrid composites based on carbon nanotubes and graphene nanosheets outperforming their single-nanofiller counterparts
2022 Raimondo, M.; Donati, G.; Milano, G.; Guadagno, L.
Short vs. long chains competition during “grafting to” process from melt
2022 Chiarcos, R.; Antonioli, D.; Gianotti, V.; Laus, M.; Munao, G.; Milano, G.; De Nicola, A.; Perego, M.
A combined experimental and molecular simulation study on stress generation phenomena during the Ziegler-Natta polyethylene catalyst fragmentation process
2022 De Nicola, Antonio; Touloupidis, Vasileios; Kanellopoulos, Vasileios; Albunia, Alexandra R; Milano, Giuseppe
Collective dynamics of molecular rotors in periodic mesoporous organosilica: a combined solid-state 2H-NMR and molecular dynamics simulation study
2022 De Nicola, A.; Correa, A.; Bracco, S.; Perego, J.; Sozzani, P.; Comotti, A.; Milano, G.
Weak Interactions between Poly(ether imide) and Carbon Dioxide: A Multiscale Investigation Combining Experiments, Theory, and Simulations
2022 Scherillo, G.; Mensitieri, G.; Baldanza, A.; Loianno, V.; Musto, P.; Pannico, M.; Correa, A.; De Nicola, A.; Milano, G.
Aggregation of Lipid A Variants: A Hybrid Particle-Field Model
2021 De Nicola, A.; Soares, T. A.; Santos, D. E. S.; Bore, S. L.; Sevink, G. J. A.; Cascella, M.; Milano, G.
Combination of Hybrid Particle-Field Molecular Dynamics and Slip-Springs for the Efficient Simulation of Coarse-Grained Polymer Models: Static and Dynamic Properties of Polystyrene Melts
2021 Wu, Z.; Milano, G.; Muller-Plathe, F.
Bidimensional H-Bond Network Promotes Structural Order and Electron Transport in BPyMPMs Molecular Semiconductor
2021 De Nicola, A.; Correa, A.; Giunchi, A.; Muccioli, L.; D'Avino, G.; Kido, J.; Milano, G.
Bidimensional H-Bond Network Promotes Structural Order and Electron Transport in BPyMPMs Molecular Semiconductor
2021 De Nicola, A.; Correa, A.; Giunchi, A.; Muccioli, L.; D'Avino, G.; Kido, J.; Milano, G.
Inside the brush: Partition by molecular weight in grafting to reactions from melt
2021 Antonioli, D.; Chiarcos, R.; Gianotti, V.; Terragno, M.; Laus, M.; Munao, G.; Milano, G.; De Nicola, A.; Perego, M.
Evidence of Mechanochemical Control in "grafting to" Reactions of Hydroxy-Terminated Statistical Copolymers
2021 Laus, M.; Chiarcos, R.; Gianotti, V.; Antonioli, D.; Sparnacci, K.; Munao, G.; Milano, G.; De Nicola, A.; Perego, M.
Theoretical and Computational Study of the Sphere-to-Rod Transition of Triton X-100 Micellar Nanoscale Aggregates in Aqueous Solution: Implications for Membrane Protein Purification and Membrane Solubilization
2021 Murakami, Wataru; De Nicola, Antonio; Oya, Yutaka; Takimoto, Jun-Ichi; Celino, Massimo; Kawakatsu, Toshihiro; Milano, Giuseppe
Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts
2021 Wu, Z.; Kalogirou, A.; De Nicola, A.; Milano, G.; Muller-Plathe, F.
Efficient Hybrid Particle-Field Coarse-Grained Model of Polymer Filler Interactions: Multiscale Hierarchical Structure of Carbon Black Particles in Contact with Polyethylene
2021 Caputo, S.; Hristov, V.; Nicola, A. D.; Herbst, H.; Pizzirusso, A.; Donati, G.; Munao, G.; Albunia, A. R.; 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.
Can Polarity-Inverted Surfactants Self-Assemble in Nonpolar Solvents?
2020 Carrer, M.; Skrbic, T.; Bore, S. Lo.; Milano, G.; Cascella, M.; Giacometti, A.
Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
---|---|---|---|---|
Partition by molecular weight of polymer brushes: A combined reactive grand canonical Monte Carlo and self-consistent field investigation of grafting to processes | 1.1 Articolo in rivista | 2024 | Brondi, C.; Baldanza, A.; Chiarcos, R.; Laus, M.; Scherillo, G.; Mensitieri, G.; Milano, G. | |
Bacterial lipids drive compartmentalization on the nanoscale | 1.1 Articolo in rivista | 2023 | DE NICOLA, Antonio; Montis, Costanza; Donati, Greta; Molinaro, Antonio; Silipo, Alba; Balestri, Arianna; Berti, Debora; DI LORENZO, Flaviana; Zhu, You-Liang; Milano, Giuseppe | |
All-Atom Molecular Dynamics Simulations of Poly(2,6-dimethyl-1,4-phenylene) Oxide: Validation of OPLS-AA Force Field for Conformational Behaviour in Vacuum and in Carbon Tetrachloride | 1.1 Articolo in rivista | 2023 | Venezia, E.; Auriemma, F.; Odda Ruiz de, Ballestreros; Gaetano, Guerra.; Milano, G.; Correa, A. | |
Hybrid composites based on carbon nanotubes and graphene nanosheets outperforming their single-nanofiller counterparts | 1.1 Articolo in rivista | 2022 | Raimondo, M.; Donati, G.; Milano, G.; Guadagno, L. | |
Short vs. long chains competition during “grafting to” process from melt | 1.1 Articolo in rivista | 2022 | Chiarcos, R.; Antonioli, D.; Gianotti, V.; Laus, M.; Munao, G.; Milano, G.; De Nicola, A.; Perego, M. | |
A combined experimental and molecular simulation study on stress generation phenomena during the Ziegler-Natta polyethylene catalyst fragmentation process | 1.1 Articolo in rivista | 2022 | De Nicola, Antonio; Touloupidis, Vasileios; Kanellopoulos, Vasileios; Albunia, Alexandra R; Milano, Giuseppe | |
Collective dynamics of molecular rotors in periodic mesoporous organosilica: a combined solid-state 2H-NMR and molecular dynamics simulation study | 1.1 Articolo in rivista | 2022 | De Nicola, A.; Correa, A.; Bracco, S.; Perego, J.; Sozzani, P.; Comotti, A.; Milano, G. | |
Weak Interactions between Poly(ether imide) and Carbon Dioxide: A Multiscale Investigation Combining Experiments, Theory, and Simulations | 1.1 Articolo in rivista | 2022 | Scherillo, G.; Mensitieri, G.; Baldanza, A.; Loianno, V.; Musto, P.; Pannico, M.; Correa, A.; De Nicola, A.; Milano, G. | |
Aggregation of Lipid A Variants: A Hybrid Particle-Field Model | 1.1 Articolo in rivista | 2021 | De Nicola, A.; Soares, T. A.; Santos, D. E. S.; Bore, S. L.; Sevink, G. J. A.; Cascella, M.; Milano, G. | |
Combination of Hybrid Particle-Field Molecular Dynamics and Slip-Springs for the Efficient Simulation of Coarse-Grained Polymer Models: Static and Dynamic Properties of Polystyrene Melts | 1.1 Articolo in rivista | 2021 | Wu, Z.; Milano, G.; Muller-Plathe, F. | |
Bidimensional H-Bond Network Promotes Structural Order and Electron Transport in BPyMPMs Molecular Semiconductor | 1.1 Articolo in rivista | 2021 | De Nicola, A.; Correa, A.; Giunchi, A.; Muccioli, L.; D'Avino, G.; Kido, J.; Milano, G. | |
Bidimensional H-Bond Network Promotes Structural Order and Electron Transport in BPyMPMs Molecular Semiconductor | 1.1 Articolo in rivista | 2021 | De Nicola, A.; Correa, A.; Giunchi, A.; Muccioli, L.; D'Avino, G.; Kido, J.; Milano, G. | |
Inside the brush: Partition by molecular weight in grafting to reactions from melt | 1.1 Articolo in rivista | 2021 | Antonioli, D.; Chiarcos, R.; Gianotti, V.; Terragno, M.; Laus, M.; Munao, G.; Milano, G.; De Nicola, A.; Perego, M. | |
Evidence of Mechanochemical Control in "grafting to" Reactions of Hydroxy-Terminated Statistical Copolymers | 1.1 Articolo in rivista | 2021 | Laus, M.; Chiarcos, R.; Gianotti, V.; Antonioli, D.; Sparnacci, K.; Munao, G.; Milano, G.; De Nicola, A.; Perego, M. | |
Theoretical and Computational Study of the Sphere-to-Rod Transition of Triton X-100 Micellar Nanoscale Aggregates in Aqueous Solution: Implications for Membrane Protein Purification and Membrane Solubilization | 1.1 Articolo in rivista | 2021 | Murakami, Wataru; De Nicola, Antonio; Oya, Yutaka; Takimoto, Jun-Ichi; Celino, Massimo; Kawakatsu, Toshihiro; Milano, Giuseppe | |
Atomistic hybrid particle-field molecular dynamics combined with slip-springs: Restoring entangled dynamics to simulations of polymer melts | 1.1 Articolo in rivista | 2021 | Wu, Z.; Kalogirou, A.; De Nicola, A.; Milano, G.; Muller-Plathe, F. | |
Efficient Hybrid Particle-Field Coarse-Grained Model of Polymer Filler Interactions: Multiscale Hierarchical Structure of Carbon Black Particles in Contact with Polyethylene | 1.1 Articolo in rivista | 2021 | Caputo, S.; Hristov, V.; Nicola, A. D.; Herbst, H.; Pizzirusso, A.; Donati, G.; Munao, G.; Albunia, A. R.; 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. | |
Can Polarity-Inverted Surfactants Self-Assemble in Nonpolar Solvents? | 1.1 Articolo in rivista | 2020 | Carrer, M.; Skrbic, T.; Bore, S. Lo.; Milano, G.; Cascella, M.; Giacometti, A. |
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