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The Laboratory of Multiscale Modeling from the Nanoscale

Organic and Polymer Electronics

Electronics made from polymers and organics are lighter and more flexible, thus provide new applications. Potential application areas include solar cells, eTextiles, and medical nanodevices.

Publications in Journals and Books

  • SS Tallury, MB Smyth, E Cakmak, and MA Pasquinelli, “Molecular dynamics simulations of interactions between polyanilines in their inclusion complexes with beta cyclodextrins,” J. Phys. Chem. B.  116 (7):  2023−203 (2012). DOI: 10.1021/jp206745q
  • MA Pasquinelli and D Yaron, “Quantum chemical investigation of biexcitons in conjugated polymers,” J. Chem. Phys. 118, 8082-8092 (2003). DOI: 10.1063/1.1565100
  • MA Pasquinelli and D Yaron, “Energy landscapes for effective particles in conjugated polymers,” Synthetic Metals 101, 518-519 (1999). DOI: 10.1016/S0379-6779(98)01424-6

Publications in Conference Proceedings and Other Sources

  • MB Smyth, SS Tallury and MA Pasquinelli, “Simulations of the configurational arrangements of PANI-beta cyclodextrin inclusion complexes under different dielectric conditions,” Polymer Preprints, 52(1), 206-207 (2011). PDF