• 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
2019

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

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)

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)
2018

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)

Starch-lipid and starch-protein complexes and their application

Feng, T., Zhuang, H., Chen, F., Campanella, O., Bhopatkar, D., Carignano, M. & Hyun Park, S., 1 Jan 2018, Functional Starch and Applications in Food. Springer Singapore, p. 177-226 50 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Citation (Scopus)
4 Citations (Scopus)
2017

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)

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)
1 Citation (Scopus)
11 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 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 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)
2016

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)
11 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

2 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)

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)

Optoelectronics Properties Tunability by Controlled Deformation

Alharbi, F., Serra, P., Carignano, M. & Kais, S., 4 May 2016, In : Journal of Physics: Conference Series. 707, 1, 012010.

Research output: Contribution to journalArticle

1 Citation (Scopus)
32 Citations (Scopus)

Theoretical insights into hybrid perovskites for photovoltaic applications

Even, J., Boyer-Richard, S., Carignano, M., Pedesseau, L., Jancu, J. M. & Katan, C., 2016, Physics and Simulation of Optoelectronic Devices XXIV. SPIE, Vol. 9742. 97421A

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)
2015

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 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)

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)

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)

Self-assembled nanoparticle of common food constituents that carries a sparingly soluble small molecule

Bhopatkar, D., Feng, T., Chen, F., Zhang, G., Carignano, M., Park, S. H., Zhuang, H., Campanella, O. H. & Hamaker, B. R., 6 May 2015, In : Journal of Agricultural and Food Chemistry. 63, 17, p. 4312-4319 8 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)
76 Citations (Scopus)
2014

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)
2013

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)

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)

Molecular kinetics of solid and liquid CHCl3

Caballero, N. B., Zuriaga, M., Carignano, M. & Serra, P., 16 Sep 2013, In : Chemical Physics Letters. 585, p. 69-73 5 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Quantum confinement and negative heat capacity

Serra, P., Carignano, M., Alharbi, F. & Kais, S., 1 Oct 2013, In : EPL. 104, 1, 16004.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Structure and dynamics of [PF6][P1,2,2,4] from molecular dynamics simulations

Carignano, M., 5 Dec 2013, In : Journal of Physical Chemistry B. 117, 48, p. 15176-15183 8 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

The water supercooled regime as described by four common water models

Malaspina, D. C., Di Lorenzo, A. J. B., Pereyra, R. G., Szleifer, I. & Carignano, M. A., 14 Jul 2013, In : Journal of Chemical Physics. 139, 2, 024506.

Research output: Contribution to journalArticle

14 Citations (Scopus)
2012

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)

On the relation between hydrogen bonds, tetrahedral order and molecular mobility in model water

Pereyra, R. G., Bermúdez Di Lorenzo, A. J., Malaspina, D. C. & Carignano, M., 11 Jun 2012, In : Chemical Physics Letters. 538, p. 35-38 4 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

The plastic and liquid phases of CCl 3Br studied by molecular dynamics simulations

Caballero, N. B., Zuriaga, M., Carignano, M. & Serra, P., 7 Mar 2012, In : Journal of Chemical Physics. 136, 9, 094515.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Viscoelastic properties of dibenzylidene sorbitol (DBS) physical gels at high frequencies

Santos, P. S., Abiad, M. G., Carignano, M. & Campanella, O. H., 1 Jan 2012, In : Rheologica Acta. 51, 1, p. 3-11 9 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
2011

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)

Fluid properties of organic-nanoparticle and fumed silica systems for gelled materials

Santos, P. H. S., Carignano, M. & Campanella, O. H., 5 Oct 2011, AIP Conference Proceedings. Vol. 1373. p. 221-233 13 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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)

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)

Qualitative study of thixotropy in gelled hydrocarbon fuels

Santos, P. H. S., Carignano, M. & Campanella, O. H., 10 Feb 2011, In : Engineering Letters. 19, 1

Research output: Contribution to journalArticle

10 Citations (Scopus)

Rotational relaxation characteristics of the monoclinic phase of CCl 4

Zuriaga, M., Carignano, M. & Serra, P., 28 Jul 2011, In : Journal of Chemical Physics. 135, 4, 044504.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Structure of supercooled water in clusters and bulk and its relation to the two-state picture of water: Results from the TIP4P-ice model

Gelman Constantin, J., Rodriguez Fris, A., Appignanesi, G., Carignano, M., Szleifer, I. & Corti, H., 1 Nov 2011, In : European Physical Journal E. 34, 11, 126.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Temperature dependence of ice critical nucleus size

Pereyra, R. G., Szleifer, I. & Carignano, M., 21 Jul 2011, In : Journal of Chemical Physics. 135, 3, 034508.

Research output: Contribution to journalArticle

36 Citations (Scopus)