• 2614 Citations
  • 27 h-Index
1992 …2019
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Research Output 1992 2019

  • 2614 Citations
  • 27 h-Index
  • 89 Article
  • 3 Conference contribution
  • 1 Chapter
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8 Citations (Scopus)

Ab initio study of the reaction of ozone with bromide ion

Gladich, I., Francisco, J. S., Buszek, R. J., Vazdar, M., Carignano, M. & Shepson, P. B., 14 May 2015, In : Journal of Physical Chemistry A. 119, 19, p. 4482-4488 7 p.

Research output: Contribution to journalArticle

Ozone
Bromides
ozone
bromides
Ions
27 Citations (Scopus)

A close examination of the structure and dynamics of HC(NH2)2PbI3 by MD simulations and group theory

Carignano, M., Saeed, Y., Aravindh, S. A., Roqan, I. S., Even, J. & Katan, C., 2016, In : Physical Chemistry Chemical Physics. 18, 39, p. 27109-27118 10 p.

Research output: Contribution to journalArticle

Group theory
group theory
examination
iodides
Temperature
23 Citations (Scopus)

Adsorption of model charged proteins on charged surfaces with grafted polymers

Carignano, M. & Szleifer, I., 20 Sep 2002, In : Molecular Physics. 100, 18, p. 2993-3003 11 p.

Research output: Contribution to journalArticle

Adsorption
Polymers
proteins
adsorption
polymers
2 Citations (Scopus)

Analysis on the prevention of protein adsorption to solid surfaces

McPherson, T., Carignano, M., Szleifer, I. & Park, K., 1 Jan 1995, In : Proceedings of the Controlled Release Society. 22, p. 57-58 2 p.

Research output: Contribution to journalArticle

Adsorption
Proteins
14 Citations (Scopus)

Analytical theory and Monte Carlo simulations of gel formation of charged chains

De La Cruz, M. O., Ermoshkin, A. V., Carignano, M. & Szleifer, I., 13 Jul 2009, In : Soft Matter. 5, 3, p. 629-636 8 p.

Research output: Contribution to journalArticle

Gelation
Macromolecules
Gels
gels
Polymethyl Methacrylate
16 Citations (Scopus)

Anomalies in supercooled NaCl aqueous solutions: A microscopic perspective

Longinotti, M. P., Carignano, M., Szleifer, I. & Corti, H. R., 28 Jun 2011, In : Journal of Chemical Physics. 134, 24, 244510.

Research output: Contribution to journalArticle

anomalies
aqueous solutions
Temperature
water
salts
3 Citations (Scopus)

A statistical study of heterogeneous nucleation of ice by molecular dynamics

Bermúdez Di Lorenzo, A. J., Carignano, M. & Pereyra, R. G., 2 Jul 2015, In : Chemical Physics Letters. 635, p. 45-49 5 p., 33078.

Research output: Contribution to journalArticle

Ice
Molecular dynamics
ice
Nucleation
nucleation
18 Citations (Scopus)

A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interface

Artiglia, L., Edebeli, J., Orlando, F., Chen, S., Lee, M. T., Corral Arroyo, P., Gilgen, A., Bartels-Rausch, T., Kleibert, A., Vazdar, M., Carignano, M., Francisco, J. S., Shepson, P. B., Gladich, I. & Ammann, M., 1 Dec 2017, In : Nature Communications. 8, 1, 700.

Research output: Contribution to journalArticle

ozonides
Ozone
Bromides
ozone
bromides
11 Citations (Scopus)
electrostatics
electronic structure
dipole moments
molecules
metal halides
23 Citations (Scopus)

Brownian dynamics study of gel-forming colloidal particles

Santos, P. H. S., Campanella, O. H. & Carignano, M., 21 Oct 2010, In : Journal of Physical Chemistry B. 114, 41, p. 13052-13058 7 p.

Research output: Contribution to journalArticle

Particles (particulate matter)
Gels
Elastic moduli
gels
Lennard-Jones potential
13 Citations (Scopus)

Characterization of JP-8/SiO 2 and RP-1/SiO 2 gels

Santos, P. H. S., Arnold, R., Anderson, W. E., Carignano, M. & Campanella, O. H., 1 Feb 2010, In : Engineering Letters. 18, 1

Research output: Contribution to journalArticle

Liquid propellants
Solid propellants
Propellants
Rockets
Gels
38 Citations (Scopus)

Cluster size analysis of two-dimensional order in colloidal gold nanoparticle arrays

Kim, B., Carignano, M., Tripp, S. L. & Wei, A., 12 Oct 2004, In : Langmuir. 20, 21, p. 9360-9365 6 p.

Research output: Contribution to journalArticle

Gold Colloid
Nanoparticles
Cluster Analysis
Gold
gold
27 Citations (Scopus)

Cluster structure and corralling effect driven by interaction mismatch in two dimensional mixtures

Zhang, D., Carignano, M. & Szleifer, I., 20 Jan 2006, In : Physical Review Letters. 96, 2

Research output: Contribution to journalArticle

Poloxamer
Nanoparticles
Guidelines
Lipids
interactions
9 Citations (Scopus)

Controlling surface interactions with grafted polymers

Carignano, M. & Szleifer, I., 1 Apr 2003, In : Interface Science. 11, 2, p. 187-197 11 p.

Research output: Contribution to journalArticle

surface reactions
Polymers
polymers
molecular theory
interactions
10 Citations (Scopus)

Cooperative dynamic and diffusion behavior above and below the dynamical crossover of supercooled water

Picasso, G. C., Malaspina, D. C., Carignano, M. & Szleifer, I., 28 Jul 2013, In : Journal of Chemical Physics. 139, 4, 044509.

Research output: Contribution to journalArticle

crossovers
Temperature
Water
water
Molecular Dynamics Simulation
16 Citations (Scopus)

Critical Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulations

Carignano, M., Aravindh, S. A., Roqan, I. S., Even, J. & Katan, C., 28 Sep 2017, In : Journal of Physical Chemistry C. 121, 38, p. 20729-20738 10 p.

Research output: Contribution to journalArticle

Iodides
perovskites
iodides
Molecular dynamics
Lead

Crystallization properties of arsenic doped GST alloys

Madhavan, V., Carignano, M., Kachmar, A. & Sangunni, K. S., 10 Sep 2019, In : Scientific reports. 9, 1, 1 p.

Research output: Contribution to journalArticle

Open Access
Arsenic
Crystallization
Transition Temperature
Temperature
Hot Temperature
14 Citations (Scopus)

Density inhomogeneities of highly charged polyelectrolyte solutions confined between uncharged and nonadsorbing walls

Carignano, M. & Dan, N., 23 Jun 1998, In : Langmuir. 14, 13, p. 3475-3478 4 p.

Research output: Contribution to journalArticle

Polyelectrolytes
inhomogeneity
oscillations
Entropy
profiles
12 Citations (Scopus)

Density of States Broadening in CH3NH3PbI3 Hybrid Perovskites Understood from ab Initio Molecular Dynamics Simulations

Zhou, L., Neukirch, A. J., Vogel, D. J., Kilin, D. S., Pedesseau, L., Carignano, M., Mohite, A. D., Even, J., Katan, C. & Tretiak, S., 13 Apr 2018, In : ACS Energy Letters. 3, 4, p. 787-793 7 p.

Research output: Contribution to journalArticle

Optoelectronic devices
Molecular dynamics
Lead
Molecular vibrations
Molecular electronics
2 Citations (Scopus)

Domain boundaries in Luttinger-Tisza ordered dipole lattices

Ashhab, S., Carignano, M. & Madjet, M., 28 Apr 2019, In : Journal of Applied Physics. 125, 16, 163103.

Research output: Contribution to journalArticle

dipoles
methylidyne
cubic lattices
boundary conditions
energy
1 Citation (Scopus)

Dynamical response of a single star polymer chain

Carignano, M. & Alessandrini, J. L., 1 Dec 1995, In : Macromolecules. 28, 9, p. 3444-3449 6 p.

Research output: Contribution to journalArticle

Stars
Polymers
Neutron scattering
Scattering
Experiments
2 Citations (Scopus)

Dynamic Heterogeneity in the Monoclinic Phase of CCl4

Caballero, N. B., Zuriaga, M., Carignano, M. & Serra, P., 4 Feb 2016, In : Journal of Physical Chemistry B. 120, 4, p. 860-865 6 p.

Research output: Contribution to journalArticle

Carbon tetrachloride
Molecules
Carbon Tetrachloride
carbon tetrachloride
Crystal orientation
14 Citations (Scopus)

Effective attractive range and viscoelasticity of colloidal gels

Santos, P. H. S., Campanella, O. H. & Carignano, M., 21 Jan 2013, In : Soft Matter. 9, 3, p. 709-714 6 p.

Research output: Contribution to journalArticle

viscoelasticity
Viscoelasticity
Gels
gels
simulation
1 Citation (Scopus)
Hydrostatics
Electronic Properties
Transport Properties
hydrostatics
Transport properties
38 Citations (Scopus)

Effects of block copolymer's architecture on its association with lipid membranes: Experiments and simulations

Frey, S. L., Zhang, D., Carignano, M., Szleifer, I. & Lee, K. Y. C., 28 Sep 2007, In : Journal of Chemical Physics. 127, 11, 114904.

Research output: Contribution to journalArticle

Poloxamer
Membrane Lipids
block copolymers
Block copolymers
lipids
43 Citations (Scopus)

Electrostatic unfolding and interactions of albumin driven by pH changes: A molecular dynamics study

Baler, K., Martin, O. A., Carignano, M., Ameer, G. A., Vila, J. A. & Szleifer, I., 30 Jan 2014, In : Journal of Physical Chemistry B. 118, 4, p. 921-930 10 p.

Research output: Contribution to journalArticle

albumins
Molecular dynamics
Albumins
Electrostatics
electrostatics
19 Citations (Scopus)

Exfoliation of Electrolyte-Intercalated Graphene: Molecular Dynamics Simulation Study

Lee, O-S. & Carignano, M., 20 Aug 2015, In : Journal of Physical Chemistry C. 119, 33, p. 19415-19422 8 p.

Research output: Contribution to journalArticle

Graphite
Graphene
Electrolytes
Molecular dynamics
Carbonates
6 Citations (Scopus)

Finite element method for finite-size scaling in quantum mechanics

Moy, W., Carignano, M. & Kais, S., 19 Jun 2008, In : Journal of Physical Chemistry A. 112, 24, p. 5448-5452 5 p.

Research output: Contribution to journalArticle

Quantum theory
Mechanics
quantum mechanics
finite element method
Finite element method
11 Citations (Scopus)
thermoelectric materials
Transport properties
Monolayers
transport properties
thermal conductivity
51 Citations (Scopus)

Formation of stacking faults during ice growth on hexagonal and cubic substrates

Carignano, M., 18 Jan 2007, In : Journal of Physical Chemistry C. 111, 2, p. 501-504 4 p.

Research output: Contribution to journalArticle

Stacking faults
Ice
crystal defects
ice
Substrates
15 Citations (Scopus)

Halide affinity for the water-air interface in aqueous solutions of mixtures of sodium salts

Gladich, I., Shepson, P. B., Carignano, M. & Szleifer, I., 16 Jun 2011, In : Journal of Physical Chemistry A. 115, 23, p. 5895-5899 5 p.

Research output: Contribution to journalArticle

halides
affinity
Salts
Sodium
Air
15 Citations (Scopus)

Halide and sodium ion parameters for modeling aqueous solutions in TIP5P-Ew water

Gladich, I., Shepson, P., Szleifer, I. & Carignano, M., 1 Apr 2010, In : Chemical Physics Letters. 489, 1-3, p. 113-117 5 p.

Research output: Contribution to journalArticle

halides
Sodium
sodium
Ions
aqueous solutions
15 Citations (Scopus)

Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface

Hoehn, R., Carignano, M., Kais, S., Zhu, C., Zhong, J., Zeng, X. C., Francisco, J. S. & Gladich, I., 7 Jun 2016, In : Journal of Chemical Physics. 144, 21, 214701.

Research output: Contribution to journalArticle

accommodation
Amines
Hydrogen bonds
Aerosols
aerosols
9 Citations (Scopus)

Hydrophobic-induced surface reorganization: Molecular dynamics simulations of water nanodroplets on perfluorocarbon self-assembled monolayers

Park, S. H., Carignano, M., Nap, R. J. & Szleifer, I., 19 Apr 2010, In : Soft Matter. 6, 8, p. 1644-1654 11 p.

Research output: Contribution to journalArticle

Fluorocarbons
Self assembled monolayers
Molecular dynamics
molecular dynamics
Water
24 Citations (Scopus)

Ice nanocolumns: A molecular dynamics study

Pereyra, R. G. & Carignano, M., 23 Jul 2009, In : Journal of Physical Chemistry C. 113, 29, p. 12699-12705 7 p.

Research output: Contribution to journalArticle

Ice
Molecular dynamics
ice
molecular dynamics
melting
5 Citations (Scopus)

Influence of Disorder and Anharmonic Fluctuations on the Dynamical Rashba Effect in Purely Inorganic Lead-Halide Perovskites

Marronnier, A., Roma, G., Carignano, M., Bonnassieux, Y., Katan, C., Even, J., Mosconi, E. & De Angelis, F., 1 Oct 2019, In : Journal of Physical Chemistry C. 123, 1, p. 291-298 8 p.

Research output: Contribution to journalArticle

perovskites
halides
Cations
Lead
Positive ions
33 Citations (Scopus)

Ions at the ice/vapor interface

Carignano, M., Shepson, P. B. & Szleifer, I., 27 Feb 2007, In : Chemical Physics Letters. 436, 1-3, p. 99-103 5 p.

Research output: Contribution to journalArticle

Ice
Interfaces (computer)
ice
Vapors
Ions
190 Citations (Scopus)

Kinetic and thermodynamic control of protein adsorption

Satulovsky, J., Carignano, M. & Szleifer, I., 1 Aug 2000, In : Proceedings of the National Academy of Sciences of the United States of America. 97, 16, p. 9037-9041 5 p.

Research output: Contribution to journalArticle

Thermodynamics
Adsorption
Polymers
Biocompatible Materials
Biomimetic Materials
3 Citations (Scopus)

Kinetics of string-gel formation in a system of dipolar colloidal particles

Marconi, V. I., Serra, P. & Carignano, M., 28 Jan 2011, In : Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 369, 1935, p. 351-358 8 p.

Research output: Contribution to journalArticle

Particles (particulate matter)
strings
Gels
Strings
Kinetics
77 Citations (Scopus)

Lysozyme adsorption on polyethylene surfaces: Why are long simulations needed?

Wei, T., Carignano, M. & Szleifer, I., 4 Oct 2011, In : Langmuir. 27, 19, p. 12074-12081 8 p.

Research output: Contribution to journalArticle

lysozyme
Polyethylene
Muramidase
Adsorption
Polyethylenes
4 Citations (Scopus)

Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study

Kachmar, A., Carignano, M., Laino, T., Iannuzzi, M. & Hutter, J., 1 Jan 2017, In : ChemSusChem. 10, 15, p. 3083-3090 8 p.

Research output: Contribution to journalArticle

Ionic Liquids
Solvation
lithium
Lithium
Ionic liquids
3 Citations (Scopus)

Modeling polymeric gels: The role of chain flexibility on the structure of physical gels

Pereyra, R. G., Al-Maadeed, M. A. & Carignano, M., 1 Mar 2017, In : Express Polymer Letters. 11, 3, p. 199-208 10 p.

Research output: Contribution to journalArticle

flexibility
Gels
gels
Polymers
cavities
62 Citations (Scopus)

Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites

Even, J., Carignano, M. & Katan, C., 28 Mar 2016, In : Nanoscale. 8, 12, p. 6222-6236 15 p.

Research output: Contribution to journalArticle

Plastics
Group theory
Crystals
Molecular dynamics
Semiconductor materials
1 Citation (Scopus)

Molecular dynamics simulation of amylose-linoleic acid complex behavior in water

Feng, T., Wang, K., Zhuang, H., Bhopatkar, D., Carignano, M., Park, S. H. & Bing, F., 1 Jan 2017, In : Journal of Nanoscience and Nanotechnology. 17, 7, p. 4724-4734 11 p.

Research output: Contribution to journalArticle

Linoleic acid
Amylose
Linoleic Acid
Molecular Dynamics Simulation
Molecular dynamics
17 Citations (Scopus)

Molecular dynamics simulation of ice growth from supercooled pure water and from salt solution

Carignano, M., Baskaran, E., Shepson, P. B. & Szleifer, I., 1 Dec 2006, In : Annals of Glaciology. 44, p. 113-117 5 p.

Research output: Contribution to journalArticle

salt
ice
solidification
simulation
ion
5 Citations (Scopus)

Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips

Gelman Constantin, J., Carignano, M., Corti, H. R. & Szleifer, I., 9 Nov 2015, In : Journal of Physical Chemistry C. 119, 48, p. 27118-27124 7 p.

Research output: Contribution to journalArticle

Ice
indentation
Indentation
Molecular dynamics
Atomic force microscopy
49 Citations (Scopus)

Molecular dynamics simulation of lysozyme adsorption/desorption on hydrophobic surfaces

Wei, T., Carignano, M. & Szleifer, I., 30 Aug 2012, In : Journal of Physical Chemistry B. 116, 34, p. 10189-10194 6 p.

Research output: Contribution to journalArticle

lysozyme
Muramidase
Molecular dynamics
Desorption
Enzymes
1 Citation (Scopus)

Molecular dynamics simulation of self-assembling process of ternary nanoparticle

Feng, T., Wang, K., Zhou, J., Deepak, B., Chen, F., Campanella, O., Hamaker, B. R., Carignano, M. & Zhuang, H., 1 Feb 2017, In : Nongye Gongcheng Xuebao/Transactions of the Chinese Society of Agricultural Engineering. 33, 3, p. 300-306 7 p.

Research output: Contribution to journalArticle

molecular dynamics
nanoparticles
Molecular Dynamics Simulation
Nanoparticles
Amylose
77 Citations (Scopus)

Molecular dynamics simulations of ice growth from supercooled water

Carignano, M., Shepson, P. B. & Szleifer, I., 1 Nov 2005, In : Molecular Physics. 103, 21-23 SPEC. ISS., p. 2957-2967 11 p.

Research output: Contribution to journalArticle

Ice
Molecular Dynamics Simulation
Molecular dynamics
ice
molecular dynamics
strands
Molecular dynamics
Polymers
Gels
gels