2020/06/17 更新

写真a

ミラノ ジュゼッペ
Giuseppe Milano
MILANO GIUSEPPE
生年
1970年
メールアドレス
メールアドレス

研究分野

  • ナノテク・材料 / 薄膜、表面界面物性

  • 情報通信 / 計算科学

出身大学

  • University of Salerno (Italy)  理学部 (Faculty of Science)

    1999年04月,卒業

出身大学院

  • (Dottorato in Chimica Università di Salerno)  化学研究科 (PhD in Chemistry)

    博士課程,1999年04月,修了

取得学位

  • 化学(理論化学),ナポリ大学,1995年03月

  • 博士(化学),サレルノ大学,1995年03月

学外略歴

  • ポリマー科学のための最大プランチ研究所,Visiting Researcher (Short Term Mobilty Grant from Italian National Research Council CNR),2000年09月 ~ 2000年11月

  • ジェイコブス大学ブレーメン,Alexander von Humboldt Fellow,2003年09月 ~ 2004年12月

  • 東北大学,Invited Fellow (JSPS),2008年07月 ~ 2008年09月

  • サレルノ大学,准教授,2014年11月 ~ 2017年09月

  • オスロ大学,Visiting Professor,2015年08月 ~ 2015年09月

所属学会・委員会

  • アレクサンダーフォンフンボルト財団

  • 電気化学学会

 

研究テーマ

  • We are curious to understand the behaviour of organic materials on the basis of their chemical structure and its effects on large length and timescales. For this reason, we develop and apply simulation methods and theory to study organic, polymeric, nano-materials and more in general soft matter.

研究経歴

  • 有機材料のモデリング,2017年09月 ~ 継続中

    分子シミュレーション、マルチスケールモデリング、有機材料

論文

  • Atomistic Model of Realistic Crystalline Mesoporous Organosilica Materials Including Nanochannels,Journal of Physical Chemistry C,2018年05月

    De Nicola, A., Correa, A., Comotti, A., Sozzani, P., Milano, G.

    共著(海外含む)

  • Intramolecular structural parameters are key modulators of the gel-liquid transition in coarse grained simulations of DPPC and DOPC lipid bilayers,Biochemical and Biophysical Research Communications,2018年03月

    Jaschonek, S, Cascella, M., Gauss, J., Diezemann, G., Milano, G.

    共著(海外含む)

  • On the calculation of the potential of mean force between atomistic nanoparticles,The European Physical Journal E,2018年03月

    Gianmarco Munaò, rAndrea Correa, Antonio Pizzirusso, Giuseppe Milano

    共著(海外含む)

  • Hybrid Particle-Field Model for Conformational Dynamics of Peptide Chains,J. Chem. Theory Comput.,2018年01月

    Sigbjørn Løland Bore, Giuseppe Milano, Michele Cascella

    共著(海外含む)

  • Biomembrane solubilization mechanism by Triton X-100: A computational study of the three stage model,Physical Chemistry Chemical Physics,2017年09月

    Antonio Pizzirusso,a Antonio De Nicola,*a G. J. Agur Sevink,b Andrea Correa,c Michele Cascella,d Toshihiro Kawakatsu,e Mattia Rocco, Ying Zhao, Massimo Celino, Giuseppe Milano

    共著(海外含む)

  • Local Structure and Dynamics of Water Absorbed in Poly(ether imide): A Hydrogen Bonding Anatomy,Journal of Physical Chemistry B,2017年03月

    De Nicola, A., Correa, A., Milano, G., La Manna, P., Mensitieri, G., Scherillo, G.

    共著(海外含む)

  • Combining cell-based hydrodynamics with hybrid particle-field simulations: efficient and realistic simulation of structuring dynamics,Soft Matter,2017年01月

    Sevink, G.J.A., Schmid, F., Kawakatsu, T., Milano, G.

    共著(海外含む)

  • Fast relaxation of coarse-grained models of polymer interphases by hybrid particle-field molecular dynamics: Polystyrene-silica nanocomposites as an example, European Physical Journal: Special Topics,2016年10月

    De Nicola, A., Kawakatsu, T., Müller-Plathe, F., Milano, G.a

    共著(海外含む)

  • Self-assembly of carbon nanotubes in polymer melts: Simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics,Nanoscale,2016年09月

    Zhao, Y., Byshkin, M., Cong, Y.a, Kawakatsu, T., Guadagno, L., De Nicola, A., Yu, N., Milano, G., Dong, B

    共著(海外含む)

  • MARTINI Coarse-Grained Model of Triton TX-100 in Pure DPPC Monolayer and Bilayer Interfaces,Journal of Physical Chemistry B,2016年04月

    Pizzirusso, A., De Nicola, A.Email Author, Milano, G.

    共著(海外含む)

  • Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems,Physical Chemistry Chemical Physics,2016年04月

    Zhu, Y.-L., Lu, Z.-Y., Milano, G., Shi, A.-C., Sun, Z.-Y.

    共著(海外含む)

  • Coarse-grained modelling of triglyceride crystallisation: A molecular insight into tripalmitin tristearin binary mixtures by molecular dynamics simulations, Journal of Physics D: Applied Physics,2015年11月

    Pizzirusso, A., Brasiello, A., De Nicola, A., Marangoni, A.G., Milano, G.

    共著(海外含む)

  • Self-Assembled Morphologies and Percolation Probability of Mixed Carbon Fillers in the Diblock Copolymer Template: Hybrid Particle-Field Molecular Dynamics Simulation,Journal of Physical Chemistry C,2015年11月

    Zhao, Y, Milano, G., Cong, Y., Yu, N., He, Y., Cong, Y., Yuan, Q., Dong, B.

    共著(海外含む)

  • Self-Assembly of Triton X-100 in Water Solutions: A Multiscale Simulation Study Linking Mesoscale to Atomistic Models,J. Chem. Theory Comput.,2015年08月

    De Nicola, A., Kawakatsu, T., Rosano, C., Celino, M., Rocco, M. Milano, G.

    共著(海外含む)

  • Rational design of nanoparticle/monomer interfaces: A combined computational and experimental study of in situ polymerization of silica based nanocomposites,RSC Advances,2015年08月

    De Nicola, A., Avolio, R., Della Monica, F., Gentile, G., Cocca, M., Capacchione, C., Errico, M.E, Milano, G.

    共著(海外含む)

  • A unified bottom up multiscale strategy to model gas sensors based on conductive polymers,Sensors and Actuators, B: Chemical,2015年01月

    Byshkin, M.S., Buonocore, F., Di Matteo, A., Milano, G.

    共著(海外含む)

  • Cosolvent, ions, and temperature effects on the structural properties of cecropin A-Magainin 2 hybrid peptide in solutions,Biopolymers,2015年01月

    Sarukhanyan, E, Milano, G., Roccatano, D.

    共著(海外含む)

  • Generation of well-relaxed all-atom models of large molecular weight polymer melts: A hybrid particle-continuum approach based on particle-field molecular dynamics simulations,J. Chem. Theory Comput.,2014年12月

    De Nicola, A., Kawakatsu, T., Milano, G.

    共著(海外含む)

  • Coating mechanisms of single-walled carbon nanotube by linear polyether surfactants: Insights from computer simulations,Journal of Physical Chemistry C,2014年08月

    Sarukhanyan, E., Milano, G., Roccatano, D.

    共著(海外含む)

  • Micellar drug nanocarriers and biomembranes: How do they interact?,Physical Chemistry Chemical Physics,2014年03月

    De Nicola, A.,Hezaveh, S., Zhao, Y., Kawakatsu, T., Roccatano, D., Milano, G.

    共著(海外含む)

  • Spontaneous insertion of carbon nanotube bundles inside biomembranes: A hybrid particle-field coarse-grained molecular dynamics study,Chemical Physics Letters,2014年03月

    Sarukhanyan, E., De Nicola, A., Roccatano, D., Kawakatsu, T., Milano, G.

    共著(海外含む)

  • A recurrent Gly43Asp substitution in coagulation Factor X rigidifies its catalytic pocket and impairs catalytic activity and intracellular trafficking,Thrombosis Research,2014年03月

    Menegatti, M., Vangone, A, Palla, R., Milano, G., Cavallo, L., Oliva, R., De Cristofaro, R., Peyvandi, F.

    共著(海外含む)

  • A united event grand canonical Monte Carlo study of partially doped polyaniline,Journal of Chemical Physics,2013年12月

    Byshkin, M.S., Correa, A., Buonocore, F., Di Matteo, A., Milano, G.

    共著(海外含む)

  • GALAMOST: GPU-accelerated large-scale molecular simulation toolkit,Journal of Computational Chemistry,2013年09月

    Zhu, Y.-L., Liu, H., Li, Z.-W., Qian, H.-J., Milano, G., Lu, Z.-Y

    共著(海外含む)

  • A hybrid particle-field coarse-grained molecular model for pluronics water mixtures,Macromolecular Chemistry and Physics,2013年09月

    De Nicola, A., Kawakatsu, T., Milano, G.

    共著(海外含む)

  • Pentacoordinated organoaluminum complexes: A computational insight,Organometallics,2012年12月

    Milione, S., Milano, G., Cavallo, L.

    共著(海外含む)

  • Understanding the interaction of block copolymers with DMPC lipid bilayer using coarse-grained molecular dynamics simulations,Journal of Physical Chemistry B,2012年12月

    Hezaveh, S., Samanta, S., De Nicola, A., Milano, G., Roccatano, D.

    共著(海外含む)

  • Diffusion of 1,2-dimethoxyethane and 1,2-dimethoxypropane through phosphatidycholine bilayers: A molecular dynamics study,Journal of Physical Chemistry B,2012年05月

    Samanta, S., Hezaveh, S., Milano, G., Roccatano, D.

    共著(海外含む)

  • A multiscale approach to triglycerides simulations: From atomistic to coarse-grained models and back,Faraday Discussions,2012年05月

    Brasiello, A., Crescitelli, S., Milano, G.

    共著(海外含む)

  • Hybrid particle-field molecular dynamics simulations: Parallelization and benchmarks,Journal of Computational Chemistry,2012年03月

    Zhao, Y., De Nicola, A, Kawakatsu, T., Milano, G

    共著(海外含む)

  • 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,Journal of Chemical Physics,2012年03月

    Hezaveh, S., Samanta, S., Milano, G., Roccatano, D.

    共著(海外含む)

  • Validation of a hybrid MD-SCF coarse-grained model for DPPC in non-lamellar phases, Theoretical Chemistry Accounts,2012年03月

    De Nicola, A., Zhao, Y., Kawakatsu, T., Roccatano, D., Milano, G.

    共著(海外含む)

  • Structure and dynamics of 1,2-dimethoxyethane and 1,2-dimethoxypropane in aqueous and non-aqueous solutions: A molecular dynamics study,Journal of Chemical Physics,2011年10月

    Hezaveh, S., Samanta, S., Milano, G., Roccatano, D.

    共著(海外含む)

  • Development of a coarse-grained model for simulations of tridecanoin liquid-solid phase transitions,Physical Chemistry Chemical Physics,2011年10月

    Brasiello, A., Crescitelli, S., Milano, G.

    共著(海外含む)

  • Hybrid particle-field coarse-grained models for biological phospholipids,J. Chem. Theory Comput.,2011年09月

    De Nicola, A., Zhao, Y., Kawakatsu, T., Roccatano, D., Milano, G.

    共著(海外含む)

  • Gold nanoparticle/polymer interfaces: All atom structures from molecular dynamics simulations,Journal of Physical Chemistry C,2011年08月

    Milano, G., Santangelo, G., Ragone, F., Cavallo, L., Di Matteo, A.

    共著(海外含む)

  • Pressure calculation in hybrid particle-field simulations,Journal of Chemical Physics,2010年12月

    Milano, G., Kawakatsu, T.

    共著(海外含む)

  • Hydrogen adsorption by δ and ε crystalline phases of syndiotactic polystyrene aerogels,Macromolecules,2010年10月

    Figueroa-Gerstenmaier, S., Daniel, C., Milano, G., Vitillo, J.G., Zavorotynska, O., Spoto, G., Guerra, G.

    共著(海外含む)

  • Storage of hydrogen as a guest of a nanoporous polymeric crystalline phase,Physical Chemistry Chemical Physics,2010年04月

    Figueroa-Gerstenmaier, S., Daniel, C., Milano, G., Guerra, G., Zavorotynska, O., Vitillo, J.G., Zecchina, A., Spoto, G.

    共著(海外含む)

  • Hybrid particle-field molecular dynamics simulations for dense polymer systems,Journal of Chemical Physics,2009年06月

    Milano, G., Kawakatsu, T.

    共著(海外含む)

  • Reactivity of a cationic alkyl amino-functionalized cyclopentadienyl aluminum compound with olefins: NMR observation and computational investigation of the single propene insertion product into an Al-C bond,Organometallics,2009年04月

    Pappalardo, D., Pellecchia, C., Milano, G., Mella, M.

    共著(海外含む)

  • A molecular model for H2 interactions in aliphatic and aromatic hydrocarbons,Physical Chemistry Chemical Physics,2009年04月

    Susana Figueroa-Gerstenmaier, Simona Giudice, Luigi Cavallo, Giuseppe Milano

    共著(海外含む)

  • Backmapping coarse-grained polymer models under sheared nonequilibrium conditions,Physical Chemistry Chemical Physics,2009年02月

    Chen, X., Carbone, P., Santangelo, G., Di Matteo, A., Milano, G., Müller-Plathe, F.

    共著(海外含む)

  • Viscosity and structural alteration of a coarse-grained model of polystyrene under steady shear flow studied by reverse nonequilibrium molecular dynamics,Macromolecules,2007年10月

    Chen, X., Carbone, P., Cavalcanti, W.L., Milano, G., Müller-Plathe, F.

    共著(海外含む)

  • Coarse-grained and reverse-mapped united-atom simulations of long-chain atactic polystyrene melts: Structure, thermodynamic properties, chain conformation, and entanglements,Macromolecules,2007年05月

    Spyriouni, T., Tzoumanekas, C., Theodorou, D., Müller-Plathe, F., Milano, G.

    共著(海外含む)

  • From mesoscale back to atomistic models: A fast reverse-mapping procedure for vinyl polymer chains,Journal of Physical Chemistry B,2007年03月

    Santangelo, G., Di Matteo, A., Müller-Plathe, F., Milano, G.

    共著(海外含む)

  • Synthetic polymers and biomembranes. How do they interact?: Atomistic molecular dynamics simulation study of PEO in contact with a DMPC lipid bilayer,Journal of Physical Chemistry B,2006年12月

    Pal, S., Milano, G., Roccatano, D.

    共著(海外含む)

  • Dynamics of benzene guest inside a self-assembled cylindrical capsule: A combined solid-state2H NMR and molecular dynamics simulation study,Journal of Physical Chemistry B,2006年10月

    Albunia, A.R., Gaeta, C., Neri, P., Grassi, A., Milano, G.

    共著(海外含む)

  • 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,Chemistry of Materials,2006年05月

    Venditto, V., De Girolamo Del Mauro, A., Mensitieri, G., Milano, G., Musto, P., Rizzo, P., Guerra, G.

    共著(海外含む)

  • Mapping atomistic simulations to mesoscopic models: A systematic coarse-graining procedure for vinyl polymer chains,Journal of Physical Chemistry B,2005年10月

    Milano, G., Müller-Plathe, F.

    共著(海外含む)

  • A clear-cut experimental method to discriminate between in-plane and out-of-plane molecular transition moments,Journal of the American Chemical Society,2005年09月

    Albunia, A.R., Milano, G., Venditto, V., Guerra, G.

    共著(海外含む)

  • Orientation and microenvironment of naphthalene guest in the host nanoporous phase of syndiotactic polystyrene,Macromolecules,2005年05月

    Venditto, V., Milano, G., De Girolamo Del Mauro, A., Guerra, G., Mochizuki, J. Itagaki, H.

    共著(海外含む)

  • Multicentered Gaussian-based potentials for coarse-grained polymer simulations: Linking atomistic and mesoscopic scales,Journal of Polymer Science, Part B: Polymer Physics,2005年04月

    Milano, G., Goudeau, S., Müller-Plathe, F.

    共著(海外含む)

  • (E)-(Z) selectivity in the polymerization of 2-butene promoted by Ni(II) Brookhart-type catalysts,Macromolecules,2005年03月

    Milano, G., Guerra, G., Mazzeo, M., Pellecchia, C., Cavallo, L.

    単著

  • Cyclohexane-benzene mixtures: Thermodynamics and structure from atomistic simulations,Journal of Physical Chemistry B,2004年06月

    Milano, G., Müller-Plathe, F.

    共著(海外含む)

  • Stereoselectivity and chemoselectivity in Ziegler-Natta polymerization of conjugated dienes. 2. Mechanism for 1,2 syndiotactic polymerization of diene monomers with high energy s-cis η4 coordination,Polymer,2004年01月

    Costabile, C., Milano, G., Cavallo, L., Longo, P., Guerra, G., Zambelli, A.

    共著(海外含む)

  • Butadiene Insertion and Constitutional Units in Ethene Copolymerizations by C2-Symmetric Metallocenes,Macromolecules,2003年12月

    Longo, P., Napoli, M., Pragliola, S., Costabile, C., Milano, G., Guerra, G.

    共著(海外含む)

  • Chlorinated guest orientation and mobility in clathrate structures formed with syndiotactic polystyrene,Macromolecules,2003年11月

    Albunia, A.R., Di Masi, S., Rizzo, P., Milano, G., Musto, P., Guerra, G.

    共著(海外含む)

  • E stereoregular 1,1 and 1,3 constitutional units from 1,3-butadiene in copolymerizations catalyzed by a highly hindered C2symmetric metallocene,Journal of the American Chemical Society,2003年04月

    Longo, P., Pragliola, S., Milano, G., Guerra, G.

    共著(海外含む)

  • Stereochemical pseudohexad13C NMR resonances and regioregular propylene/ethylene-1-13C copolymers,Macromolecular Chemistry and Physics,2002年12月

    Giannini, U., Castellano, S., Sessa, I., Ferro, D.R., Grisi, F., Liguori, D., Milano, G., Zambelli, A.

    共著(海外含む)

  • Site chirality as a messenger in chain-end stereocontrolled propene polymerization,Journal of the American Chemical Society,2002年11月

    Milano, G., Cavallo, L., Guerra, G.

    共著(海外含む)

  • A possible unified mechanism of like and unlike chain-end stereocontrol for primary propene-coordinated polymerizations,Macromolecular Chemistry and Physics,2002年07月

    Milano, G., Fiorello, G., Guerra, G., Cavallo, L.

    共著(海外含む)

  • Anisotropic diffusion of small penetrants in the δ crystalline phase of syndiotactic polystyrene: A molecular dynamics simulation study,Chemistry of Materials,2002年06月

    Milano, G., Guerra, G., Müller-Plathe, F.

    共著(海外含む)

  • Stereoselective cyclopropanation by cyclocopolymerization of butadiene,Journal of the American Chemical Society,2002年04月

    Pragliola, S., Milano, G., Guerra, G., Longo, P.

    共著(海外含む)

  • Stereoselectivity and chemoselectivity in Ziegler-Natta polymerizations of conjugated dienes. 1. Monomers with low-energy s-Cis η4coordination,Macromolecules,2001年11月

    Costabile, C., Milano, G., Cavallo, L., Guerra, G.

    共著(海外含む)

  • Ab initio and molecular mechanics study of conformational selectivity of chlorinated compounds adsorbed in the clathrate phase of syndiotactic polystyrene. The role of electrostatic host-guest interactions,Macromolecular Theory and Simulations,2001年05月

    Milano, G., Guerra, G., Cavallo, L.

    共著(海外含む)

  • Shape and volume of cavities in thermoplastic molecular sieves based on syndiotactic polystyrene,Chemistry of Materials,2001年04月

    Milano, G., Venditto, V., Guerra, G., Cavallo, L., Ciambelli, P., Sannino, D.

    共著(海外含む)

  • Mechanism of Unlike Stereoselectivity in 1-Alkene Primary Insertions: Syndiospecific Propene Polymerization by Brookhart-Type Nickel(II) Catalysts,Organometallics,2000年04月

    Milano, G., Guerra, G., Pellecchia, C., Cavallo, L.

    共著(海外含む)

  • Thermoplastic molecular sieves,Chemistry of Materials,2000年02月

    Guerra, G., Milano, G., Venditto, V., Musto, P., De Rosa, C., Cavallo, L.

    共著(海外含む)

  • A preliminary study of host-guest interactions in polymeric clathrates - An Ab initio study of the model complexes benzene/X2(X = F, Cl, Br, I),European Journal of Inorganic Chemistry,1998年12月

    Milano, G., Guerra, G., Cavallo, L.

    共著(海外含む)

  • Proton transfer in the ground and excited electronic states of [2,2′-bipyridyl]-3,3′-diol. A semiempirical study,Journal of the Chemical Society, Perkin Transactions 2,1995年06月

    Barone, V., Milano, G., Orlandini, L., Adamo, C.

    共著(海外含む)

全件表示 >>

著書

  • Synthetic Biology: Volume 2 Book Chapter: Self-assembly at the multi-scale level: challenges and new avenues for inspired synthetic biology modelling,Royal Society of Chemistry,2017年11月

    Giuseppe Milano, Irene Marzuoli, Chris D. Lorenz and Franca Fraternali

  • New Polymeric Materials. Book Chapter: Thermoplastic Molecular Sieves: New Polymeric Materials for Molecular Packaging,American Chemical Society,2005年09月

    Giuseppe Milano, Christophe Daniel, Vincenzo Venditto, Paola Rizzo, Gaetano Guerra, Pellegrino Musto, Giuseppe Mensitieri

総説・解説記事

  • Toward Chemically Resolved Computer Simulations of Dynamics and Remodeling of Biological Membranes (Perspective Paper),American Chemical Society,J. Phys. Chem. Lett.,2017年07月

    Soares, T.A., Vanni, S., Milano, G., Cascella, M.

  • Understanding at molecular level of nanoporous and co-crystalline materials based on syndiotactic polystyrene,Progress in Materials Science,2008年07月

    Milano, G., Guerra, G.

科研費(文科省・学振)獲得実績

  • 基盤研究(B),2018年04月 ~ 2021年03月,再生可能電力の変換貯蔵を目指すメタルフリー有機電極触媒

 
      

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