Antonio Pizzirusso
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Explore the profile of Antonio Pizzirusso including associated specialties, affiliations and a list of published articles.
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12
Citations
64
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Recent Articles
1.
Caputo S, Hristov V, De Nicola A, Herbst H, Pizzirusso A, Donati G, et al.
J Chem Theory Comput
. 2021 Feb;
17(3):1755-1770.
PMID: 33577311
In the present study, we propose, validate, and give first applications for large-scale systems of coarse-grained models suitable for filler/polymer interfaces based on carbon black (CB) and polyethylene (PE). The...
2.
Munao G, Pizzirusso A, Kalogirou A, De Nicola A, Kawakatsu T, Muller-Plathe F, et al.
Nanoscale
. 2018 Sep;
10(46):21656-21670.
PMID: 30256374
We perform a systematic application of the hybrid particle-field molecular dynamics technique [Milano, et al., J. Chem. Phys., 2009, 130, 214106] to study interfacial properties and potential of mean force...
3.
Pizzirusso A, Peyronel F, Co E, Marangoni A, Milano G
J Am Chem Soc
. 2018 Sep;
140(39):12405-12414.
PMID: 30178998
A molecular interpretation of the eutectic behavior of a binary mixture of tristearin (SSS) and tripalmitin (PPP) triglycerides was formulated using computer simulations and experimental techniques (calorimetry and X-ray scattering)....
4.
Munao G, Correa A, Pizzirusso A, Milano G
Eur Phys J E Soft Matter
. 2018 Mar;
41(3):38.
PMID: 29594806
We study the potential of mean force (PMF) between atomistic silica and gold nanoparticles in the vacuum by using molecular dynamics simulations. Such an investigation is devised in order to...
5.
Biomembrane solubilization mechanism by Triton X-100: a computational study of the three stage model
Pizzirusso A, De Nicola A, Sevink G, Correa A, Cascella M, Kawakatsu T, et al.
Phys Chem Chem Phys
. 2017 Sep;
19(44):29780-29794.
PMID: 28956043
The solubilization mechanism of lipid membranes in the presence of Triton X-100 (TX-100) is investigated at molecular resolution using molecular dynamics (MD) simulations. Thanks to the large time and length...
6.
Pizzirusso A, De Nicola A, Milano G
J Phys Chem B
. 2016 Apr;
120(16):3821-32.
PMID: 27042862
The coarse-grained MARTINI model of Triton TX-100 has been validated by direct comparison of the experimental and calculated area increase in pure DPPC lipid bilayers and monolayers at water/air interfaces...
7.
Weber A, Burnell E, Meerts W, de Lange C, Dong R, Muccioli L, et al.
J Chem Phys
. 2015 Jul;
143(1):011103.
PMID: 26156458
The NMR spectrum of n-hexane orientationally ordered in the nematic liquid crystal ZLI-1132 is analysed using covariance matrix adaptation evolution strategy (CMA-ES). The spectrum contains over 150 000 transitions, with...
8.
Pizzirusso A, Di Pietro M, De Luca G, Celebre G, Longeri M, Muccioli L, et al.
Chemphyschem
. 2014 Apr;
15(7):1356-67.
PMID: 24692106
The alignment of biphenyl (2P) in the liquid-crystal phases of 4-n-pentyl-4'-cyanobiphenyl (5CB) and 4-n-octyl-4'-cyanobiphenyl (8CB) is investigated by using a combination of predictive atomistic molecular dynamics (MD) simulations and (1)H...
9.
Muccioli L, DAvino G, Berardi R, Orlandi S, Pizzirusso A, Ricci M, et al.
Top Curr Chem
. 2013 Dec;
352:39-101.
PMID: 24322782
The molecular organization of functional organic materials is one of the research areas where the combination of theoretical modeling and experimental determinations is most fruitful. Here we present a brief...
10.
Palermo M, Pizzirusso A, Muccioli L, Zannoni C
J Chem Phys
. 2013 Jun;
138(20):204901.
PMID: 23742510
We report the results of atomistic molecular dynamics simulations of 4-n-octyl-4' cyanobiphenyl (8CB) on samples of 750 and 3000 molecules showing the spontaneous formation of the nematic phase and then...