Publications
Exploring quantum frontiers in molecular and material science
- General Framework for Quantifying Dissipation Pathways in Open Quantum Systems. I. Theoretical Formulation
C. W. Kim and I. Franco, J. Chem. Phys. 160, 214111 (2024) (pdf) (.bib) - General Framework for Quantifying Dissipation Pathways in Open Quantum Systems. II. Numerical Validation and the Role of Non-Markovianity
C. W. Kim and I. Franco, J. Chem. Phys. 160, 214112 (2024) (pdf) (.bib) - Bexcitonics: Quasi-particle approach to open quantum dynamics
X. Chen and I. Franco, J. Chem. Phys. 160, 204116 (2024) (pdf)(.bib)
- Mapping Electronic Decoherence Pathways in Molecules
I. Gustin, C.W. Kim, D.W. McCamant, and I. Franco, PNAS. 120, e2309987120 (2023) (pdf)(.bib)
- Microscopic Theory, Analysis, and Interpretation of Conductance Histograms in Molecular Junctions
L. Mejía, P. Cossio, and I. Franco, Nature Comm. 14, 7646 (2023) (pdf)(.bib) - Floquet theory and computational method for the optical absorption of laser-dressed solids
V. Tiwari, B. Gu, and I. Franco, Phys. Rev. B, 108, 064308 (2023) (pdf) (.bib)
- Stark control of electrons across the molecule–semiconductor interface
A. Garzón-Ramírez, and I. Franco, J. Chem. Phys., 159, 044704 (2023) (pdf) (.bib)
- Floquet Engineering of Strongly Driven Excitons in Monolayer Tungsten Disulfide
Y. Kobayashi, C. Heide, A. C. Johnson, V. Tiwari, F. Liu, D. A. Reis, T. F. Heinz and S. Ghimire, Nature Physics 19, 171–176 (2023) (pdf)(.bib) - Tuning and Enhancing Quantum Coherence Time Scales in Molecules via Light-Matter Hybridization
W. Hu, I. Gustin, T. D. Krauss and I. Franco, J. Phys. Chem. Lett. 13, 11503–11511 (2022) (pdf) (.bib) - Learning Conductance: Gaussian Process Regression for Molecular Electronics
M. Deffner, M. Weise, H. Zhang, M. Mücke, J. Proppe, I. Franco, and C. Herrmann, J. Chem. Theory Comput. 19, 992–1002 (2023)(pdf)(.bib) - Analog Quantum Simulation of the Dynamics of Open Quantum Systems with Quantum Dots and Microelectronic Circuits
C. W. Kim, J. M. Nichol, A. N. Jordan and I. Franco, PRX Quantum 3, 040308 (2022) Editor’s Choice (pdf) (.bib) - Light-field control of real and virtual charge carriers
T. Boolakee, C. Heide, A. Garzón-Ramírez, H. B. Weber, I. Franco and P. Hommelhoff, Nature 605, 251-255 (2022) (pdf) (.bib) Press release - Coherent and Incoherent Contributions to Molecular Electron Transport
L. Mejía, U. Kleinekathoefer and I. Franco, J. Chem. Phys. 156, 094302 (2022) (pdf)(.bib)
- Electronic Coherence and Coherence Dephasing in the Optical Control of Electrons in Graphene
C. Heide, T. Eckstein, T. Boolakee, C. Gerner, H. B. Weber, I. Franco and P. Hommelhoff, Nano Lett. 21, 9403 (2021) (pdf) (.bib) - Diels–Alder Reaction in a Molecular Junction
L. Mejía, D. Garay-Ruiz and I. Franco, J. Phys. Chem. C, 125, 14599 (2021) (pdf) (.bib)
- Screening and band bending effects in the Stark control of electrons at interfaces (SCELI)
A. J. Garzón-Ramírez, F. F. Villoria and I. Franco, Phys. Rev. B, 103, 235304 (2021) (pdf) (.bib)
- Theory of Dissipation Pathways in Open Quantum Systems
C. W. Kim and I. Franco, J. Chem. Phys. 154, 084109 (2021) (pdf) (.bib)
- Understanding the Conductance Dispersion of Single-Molecule Junctions
Z. Li, L. Mejía, J. Marrs, H. Jeong, J. Hihath, and I. Franco, J. Phys. Chem. C, 125, 6, 3406 (2021) (pdf) (.bib)
Featured on the cover (cover link)
- Symmetry Breaking in the Stark Control of Electrons at Interfaces (SCELI)
A. J. Garzón-Ramı́rez and I. Franco, J. Chem. Phys. 153, 044704 (2020) (pdf) (.bib) - Toward the laser control of electronic decoherence
W. Hu, B. Gu and I. Franco, J. Chem. Phys. 152, 184305 (2020) (pdf) (.bib) - Optical properties of periodically-driven open nonequilibrium quantum systems
G. Cabra, I. Franco and M. Galperin, J. Chem. Phys. 152, 094101 (2020) (pdf) (.bib) - When can quantum decoherence be mimicked by classical noise?
B. Gu and I. Franco, J. Chem. Phys. 151, 014109 (2019) (pdf) (.bib) - Molecular electronics: Toward the atomistic modeling of conductance histograms
Z. Li and I. Franco, J. Phys. Chem. C, 123, 9693 (2019) (pdf) (.bib)
Abraham Nitzan Festschrift. - Force-conductance spectroscopy of a single-molecule reaction
L. Mejía and I. Franco, Chem. Sci., 10, 3249-3256 (2019) (pdf) (.bib)
- Optical absorption properties of laser-driven matter
B. Gu and I. Franco, Phys. Rev. A, 98, 063412 (2018) (pdf) (.bib) - Electronic interactions do not affect electronic decoherence in the pure-dephasing limit
B. Gu and I. Franco, J. Chem. Phys, 149, 174115 (2018) (pdf) (.bib) - Stark Control of Electrons Across Interfaces
A. J. Garzón-Ramı́rez and I. Franco, Phys. Rev. B, 98, 121305(R) (2018) (pdf) (.bib) - How structural defects affect the mechanical and electrical properties of single molecular wires
M. Koch, Z. Li, C. Nacci, T. Kumagai, I. Franco and L. Grill, Phys. Rev. Lett., 121, 047701 (2018) (pdf) (.bib)
Editor’s choice - Stark control of electrons along nanojunctions
L. Chen, Y. Zhang, G. Chen and I. Franco, Nature Communications 9, 2070 (2018) (pdf) (.bib)
In the news: UR link, physorg - Lessons on electronic decoherence in molecules from exact modeling
W. Hu, B. Gu and I. Franco, J. Chem. Phys., 148, 134304 (2018) (pdf) (.bib) - Modeling Non-Reactive Molecule-Surface Systems on Experimentally Relevant Time and Length Scales: Dynamics and Conductance of Polyfluorene on Au(111)
Z. Li, A. Tkatchenko and I. Franco, J. Phys. Chem. Lett., 9, 1140 (2018) (pdf) (.bib) - Signatures of conformational dynamics and electrode-molecule interactions in the conductance profile during pulling of single-molecule junctions
L. Mejía, N. Renaud and I. Franco, J. Phys. Chem. Lett., 9, 745 (2018) (pdf) (.bib) - Generalized theory for the timescale of molecular electronic decoherence in condensed phase
B. Gu and I. Franco, J. Phys. Chem. Lett., 9, 773 (2018) (pdf) (.bib)
- Excitonic coupling modulated by mechanical stimuli
- Quantifying early-time quantum decoherence dynamics through fluctuations
- Quantifying fermionic decoherence in many-body systems
- Partial hydrodynamic representation of quantum molecular dynamics
- When can time-dependent currents be reproduced by the Landauer steady-state approximation?
- 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) (pdf) (.bib) Special Issue on “Frontiers in Molecular Scale Electronics”. - Entanglement in the Born-Oppenheimer Approximation
A. F. Izmaylov and I. Franco, J. Chem. Theory Comput., 13, 20 (2017) (pdf)(.bib) - 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) (pdf) (.bib) - Understanding the fundamental connection between electronic correlation and decoherence
A. Kar, L. Chen, I. Franco, J. Phys. Chem. Lett., 7, 1616 (2016) (pdf) (.bib) - Simple and accurate method for time-dependent transport along nanoscale junctions
L. Chen, T. Hansen, I. Franco, J. Phys. Chem. C, 118, 20009 (2014) (pdf) (.bib) -
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) (pdf) (.bib) -
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) (pdf) (.bib)Before Rochester
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Reduced purities as measures of decoherence in many-electron systems
I. Franco and H. Appel, J. Chem. Phys. 139, 094109 (2013) (pdf) (.bib) -
Long-lived oscillatory incoherent electron dynamics in molecules: trans-polyacetylene
I. Franco, A. Rubio and P. Brumer, New J. Phys. 15, 043004 (2013) (pdf) (.bib) -
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 (pdf) (.bib) -
Electronic coherence dynamics in trans-polyacetylene oligomers
I. Franco and P. Brumer, J. Chem. Phys. 136, 144501 (2012) (pdf) (.bib) -
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) (pdf) (.bib) -
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) (pdf) (.bib)
In the news: C&E News -
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) -
DNA-based optomechanical molecular motor
M. McCullagh, I. Franco, M.A. Ratner and G.C. Schatz, J. Am. Chem. Soc. 133, 3452-3459 (2011) (pdf) (.bib)
In the news: physorg -
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) (pdf) (.bib) -
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) (pdf) (.bib) -
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, (2011) -
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) (pdf) (.bib) -
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) (pdf) (.bib) -
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) (pdf) (.bib) -
Laser-induced currents along molecular wire junctions
I. Franco, M. Shapiro and P. Brumer, J. Chem. Phys. 128, 244906 (2008) (pdf) (.bib) -
Femtosecond dynamics and laser control of charge transport in trans-polyacetylene
I. Franco, M. Shapiro and P. Brumer, J. Chem. Phys. 128, 244905 (2008) (pdf) (.bib) -
Minimum requirements for laser-induced symmetry breaking in quantum and classical mechanics
I. Franco and P. Brumer, J. Phys. B 41, 074003 (2008) (pdf) (.bib) -
Robust ultrafast current in molecular wires through Stark shifts
I. Franco, M. Shapiro and P. Brumer, Phys. Rev. Lett. 99, 126802 (2007) (pdf) (.bib)
In the news: AIP, Nature Nanotech. News and Views, Nature Nanotech. Research Highlights, MRS Bulletin -
Laser-induced spatial symmetry breaking in quantum and classical mechanics
I. Franco and P. Brumer, Phys. Rev. Lett. 97, 040402 (2006) (pdf) (.bib) Featured in the cover -
Electron-vibrational dynamics of photoexcited polyfluorenes
I. Franco and S. Tretiak, J. Am. Chem. Soc. 126, 12130-40 (2004) (pdf) (.bib) -
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) (pdf) (.bib)