Molecules under Stress: using the molecular response to external stimuli as an active control tool of molecular properties and dynamics

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  1. Lessons on electronic decoherence in molecules from exact modeling
    W. Hu, B. Gu and I. Franco  (submitted)
  2. Stark control of electrons along nanojunctions
    L. Chen, Y. Zhang, G. Chen and I. Franco  (submitted)
  3. Modeling Non-Reactive Molecule-Surface Systems on Realistic Time and Length Scales: Dynamics and Conductance of Polyfluorene on Au(111)
    Z. Li, A. Tkatchenko and I. Franco (submitted)
  4. Excitonic coupling modulated by mechanical stimuli
     A. Pirrotta, G. C. Solomon, I. Franco and A. Troisi, J. Phys. Chem. Lett., 8, 4326 (2017) (link) (pdf)
  5. Quantifying early-time quantum decoherence dynamics through fluctuations

    B. Gu and I. Franco, J. Phys. Chem. Lett., 8, 4289 (2017) (link) (pdf)

  6. Quantifying fermionic decoherence in many-body systems

    A. Kar and  I. Franco, J. Chem. Phys., 146, 214107 (2017) (link) (pdf)

  7. Partial hydrodynamic representation of quantum molecular dynamics

    B. Gu and I. Franco, J. Chem. Phys. 146, 194104 (2017)  (link) (pdf)

  8. When can time-dependent currents be reproduced by the Landauer steady-state approximation?

    R. Carey, L. Chen, B. Gu and I. Franco, J. Chem. Phys. 146, 174101 (2017)  (link) (pdf

  9. Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes 
    A. Pirrotta, L. De Vico, G. C. Solomon and I. Franco, J. Chem. Phys. 146, 092329 (2017) (
    link) (pdf) Special Issue on “Frontiers in Molecular Scale Electronics”.
  10. Entanglement in the Born-Oppenheimer Approximation
    A. F. Izmaylov and I. Franco, J. Chem. Theory Comput., 13, 20 (2017) (link) (pdf)
  11. Hydrogen-bonding in tight environments: simulated force spectroscopy of nanoconfined hydrogen bonded complexes
    A. Pirrotta, G. C. Solomon and I. Franco, J. Phys. Chem. C, 120, 19470 (2016) (link) (pdf)
  12. Understanding the fundamental connection between electronic correlation and decoherence
    A. Kar, L. Chen, I. Franco, J. Phys. Chem. Lett., 7, 1616 (2016) (link) (pdf)
  13. Simple and accurate method for time-dependent transport along nanoscale junctions
    L. Chen, T. Hansen, I. Franco, J. Phys. Chem. C, 118, 20009 (2014) (link) (pdf)
  14. Correlated electron-nuclear dynamics with conditional wave functions
    G. Albareda, H. Appel, I. Franco, A. Abedi and A. Rubio, Phys. Rev. Lett., 113, 083003 (2014) (link) (link) (pdf)

  15. Molecular junctions: can pulling influence optical controllability?
    S.M.Parker, M. Smeu, I. Franco, M.A. Ratner and T. Seideman, Nano Lett., 14, 4587 (2014) (link) (pdf)

  16. Reduced purities as measures of decoherence in many-electron systems 
    I. Franco and H. Appel, J. Chem. Phys. 139, 094109 (2013) (link) (pdf)

  17. Long-lived oscillatory incoherent electron dynamics in molecules: trans-polyacetylene 
    I. Franco, A. Rubio and P. Brumer, New J. Phys. 15, 043004 (2013) (link) (pdf)

  18. Single-molecule pulling: phenomenology and interpretation
    I. Franco, M. A. Ratner and G. C. Schatz, In Nano and Cell Mechanics: Fundamentals and Frontiers, edited by H.D. Espinosa and G. Bao (Wiley, Microsystem and Nanotechnology Series, 2013), Chap. 14, pages 359–388 (link) (pdf)

  19. Electronic coherence dynamics in trans-polyacetylene oligomers
    I. Franco and P. Brumer, J. Chem. Phys. 136, 144501 (2012) (link) (pdf)

  20. Defects in DNA: Lessons from molecular motor design
    M. McCullagh, I. Franco, M.A. Ratner and G.C. Schatz, J. Phys. Chem. Lett. 3, 689-693 (2012) (link) (pdf)

  21. Tunneling currents that increase with molecular elongation
    I. Franco, G.C. Solomon, G.C. Schatz and M.A. Ratner, J. Am. Chem. Soc. 133, 15714-15720 (2011) (link) (pdf)
    In the news:
     C&E News

  22. TRANSpull: computes pulling coupled to transport properties of single molecules
    J. Hutcheson, I. Franco, N. Renaud, M. Carignano, M. A. Ratner, G. C. Schatz, DOI: 10254/nanohub-r11739.1. (2011) (link)

  23. DNA-based optomechanical molecular motor
    M. McCullagh, I. Franco, M.A. Ratner and G.C. Schatz, J. Am. Chem. Soc. 133, 3452-3459 (2011) (link) (pdf)
    In the news: 
    physorg

  24. Mechanically activated molecular switch through single-molecule pulling
    I. Franco, C.B. George, G.C. Solomon, G.C. Schatz and M.A. Ratner, J. Am. Chem. Soc. 133, 2242-2249 (2011) (link) (pdf)

  25. Coulombic interactions and crystal packing effects in the folding of donor-acceptor oligorotaxanes  
    I. Franco, M.A. Ratner and G.C. Schatz, J. Phys. Chem. B 115, 2477 (2011) (link) (pdf)

  26. MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate
    L. Felberg, I. Franco, M. McCullagh, M. A. Ratner, G. C. Schatz and M. Carignano, DOI: 10254/nanohub-r9583.4 (2011) (link)

  27. Quantum interferences and their classical limit in laser-driven coherent control scenarios 
    I. Franco, M. Spanner and P. Brumer, Chem. Phys. 370, 143-150 (2010) (link) (pdf)

  28. Coherent control in the classical limit: symmetry breaking in an optical lattice
    M. Spanner, I. Franco and P. Brumer, Phys. Rev. A 80, 053402 (2009) (link) (pdf)

  29. Single-molecule pulling and the folding of donor-acceptor oligorotaxanes: phenomenology and interpretation
    I. Franco, G.C. Schatz and M.A. Ratner, J. Chem. Phys. 131,124902 (2009) (link) (pdf)

  30. Laser-induced currents along molecular wire junctions
    I. Franco, M. Shapiro and P. Brumer, J. Chem. Phys. 128, 244906 (2008) (link) (pdf)

  31. Femtosecond dynamics and laser control of charge transport in trans-polyacetylene
    I. Franco, M. Shapiro and P. Brumer, J. Chem. Phys. 128, 244905 (2008) (link) (pdf)

  32. Minimum requirements for laser-induced symmetry breaking in quantum and classical mechanics
    I. Franco and P. Brumer, J. Phys. B 41, 074003 (2008) (link) (pdf)

  33. Robust ultrafast current in molecular wires through Stark shifts
    I. Franco, M. Shapiro and P. Brumer, Phys. Rev. Lett. 99, 126802 (2007) (link) (pdf)  
    In the news:
     AIPNature Nanotech. News and Views,  Nature Nanotech. Research HighlightsMRS Bulletin

  34. Laser-induced spatial symmetry breaking in quantum and classical mechanics
    I. Franco and P. Brumer, Phys. Rev. Lett. 97, 040402 (2006) (link) (pdf) Featured in the cover

  35. Electron-vibrational dynamics of photoexcited polyfluorenes
    I. Franco and S. Tretiak, J. Am. Chem. Soc. 126, 12130-40 (2004) (link) (pdf)

  36. Electron-vibrational relaxation of photoexcited polyfluorenes in the presence of chemical defects: a theoretical study  
    I. Franco and S. Tretiak, Chem. Phys. Lett. 372, 403-408 (2003) (link) (pdf)