• 2634 Citations
  • 27 h-Index
1992 …2019

Research output per year

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Research Output

  • 2634 Citations
  • 27 h-Index
  • 89 Article
  • 3 Conference contribution
  • 1 Chapter
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Article

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

8 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

27 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

23 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

2 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

14 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

16 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

3 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

19 Citations (Scopus)
11 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

23 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

13 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

38 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

28 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

9 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

10 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

18 Citations (Scopus)

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

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

14 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

12 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

2 Citations (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

1 Citation (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

2 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

14 Citations (Scopus)
1 Citation (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

39 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

45 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

19 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

6 Citations (Scopus)
11 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

51 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

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

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

15 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

9 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

24 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

5 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

33 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

191 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

3 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

78 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

4 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

3 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

64 Citations (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

2 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

17 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

6 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

51 Citations (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

1 Citation (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

77 Citations (Scopus)