Dvira Segal
Department of Chemistry
University of Toronto

Research topics - and some presentations:

  • Full Counting Statistics in Quantum Thermodynamics: Absorption refrigerator at strong coupling Presentation: ITAMP, Oct. 2017 conference
  • Heat transport in the spin-boson model
  • Phonon-assisted electron transport
  • Quantum transport with Influence Functional Path Integral (INFPI)
  • Full Counting Statistics (charge, energy) Presentation: TUB Dec. 2016
  • Molecular thermoelectricity
  • Photon emission in circuit-QED systems
  • The Probe technique: charge and energy transport Presentation: San Sebastian June 2016
  • Charge transport in DNA Presentation: CSC 2018
  • Vibrational Heat Transport in Molecular Junctions
  • double-dot Aharonov-Bohm interferometer

    CODES: Buttiker's probe in molecular electronics


    2019   2018   2017   2016   2015   2014   2013   2012   2011   2010   2009   2008   Earlier work  

    arXiv submissions, Google Scholar

      Under Review back to top  

    1. Machine Learning Prediction of DNA Charge Transport
      Roman Korol and Dvira Segal

    2. Path-integral methodology and simulations of quantum thermal transport: Full counting statistics approach
      Michael Kilgour, Bijay Kumar Agarwalla, and Dvira Segal,
      Submitted to JCP (Special Topic on Dynamics of Open Quantum Systems)

    3. Hybrid quantum-classical simulation of quantum speed limits in open quantum systems
      Junjie Liu, Dvira Segal and Gabriel Hanna,
      under review.

    4. Non-Markovian dynamics revealed at the bound state in continuum,
      Savannah Garmon, Kenichi Noba, Gonzalo Ordonez, Dvira Segal,
      Phys. Rev. A 010102 (R) (2019)

    5. Principles of Photothermal Gas-Phase Heterogeneous CO2 Catalysis
      Mireille Ghoussoub, Meikun Xia, Paul Duchesne, Dvira Segal, Geoffrey Ozin,


      Energy and Environmental Science 2019

    6. Phononic heat transport in molecular junctions: quantum effects and vibrational mismatch,
      Roya Moghaddasi Fereidani and Dvira Segal,
      J. Chem. Phys. 150 024105 (2019)

    7. On the relationship between the mean first-passage time and the steady state transfer rate in classical chains,
      Na'im Kalantar and Dvira Segal, arXiv:1809.06281
      J. Phys. Chem. C, 123 (2), pp 1021-1031 (2019). (Abraham Nitzan Festschrift)

      2018 back to top  

    8. Heat transfer statistics in mixed quantum-classical systems,
      Junjie Liu, Chang Yu Hsieh, Dvira Segal, and Gabriel Hanna,
      J. Chem. Phys. 149, 224104 (2018).
    9. Ofir Shein Lumbroso, Lena Simine, Abraham Nitzan, Dvira Segal, and Oren Tal,
      Electronic noise due to temperature difference in atomic-scale junctions
      Nature vol 562, 240-244 (2018)
      Supplementary Info

      The paper was highlighted in

      1. Nature News and Views by Elke Scheer and Wolfgang Belzig
      Unexpected noise from hot electrons
      2. Physicsworld.com Today's Headline (Oct 12)
      New type of noise found lurking in nanoscale devices
      3. Behind the Paper (Nature Channel)
      Behind the Paper/ Oren Tal
      4. Phys.org General Physics feature 'Electronic noise due to temperature difference in atomic-scale junctions'
      5. Weizmann Wonder Wander A Tale of Three Noises
      מעשה בשלושה רעשים

    10. B. K. Agarwalla and D. Segal,
      Assessing the validity of the thermodynamic uncertainty relation in quantum systems,
      Phys. Rev. B 98, 155438 (2018) Pic

    11. M. Kilgour and D. Segal,
      Coherence and decoherence in quantum absorption refrigerators
      Phys. Rev. E 98, 012117 (2018)

    12. H. M. Friedman, B. K. Agarwalla, and D. Segal,
      Quantum energy exchange and refrigeration: A full-counting statistics approach,

      New J. Phys. 20 083026 (2018)

    13. D. Segal,
      Current fluctuations in quantum absorption refrigerators
      Phys. Rev. E 97, 052145 (2018)
      PRE Kaleidoscope

    14. R. Korol and D. Segal
      From exhaustive simulations to key principles in DNA nanoelectronics
      J. Phys. Chem. C 122, 8, 4206-4216 (2018).


    15. Roman Korol, Michael Kilgour, and Dvira Segal
      ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Buttiker's probes
      Computer Physics Communications 224, 396-404 (2018).


      2017 back to top  

    16. Anqi Mu, Bijay Kumar Agarwalla, Gernot Schaller, Dvira Segal
      Qubit absorption refrigerator at strong coupling
      NJP 19, 123034 (2017)
    17. Bijay K. Agarwalla, Jian-Hua Jiang, Dvira Segal
      Quantum efficiency bound for continuous heat engines coupled to noncanonical reservoirs
      Phys. Rev. B 96, 104304 (2017) Pic

    18. Bijay Kumar Agarwalla and Dvira Segal
      The Anderson impurity model out-of-equilibrium: Assessing the accuracy of simulation techniques with an exact current-occupation relation
      JCP 147, 054104 (2017)
      1704.00121 Pic

    19. Dvira Segal
      Probing the limits of heat flow
      Science 355, 1125-1126 (2017) (perspective)


    20. Hyehwang Kim and Dvira Segal
      Controlling charge transport mechanisms in molecular junctions: Distilling thermally-induced hopping from coherent-resonant conduction
      J. Chem. Phys. 146, 164702 (2017).
      arXiv:1701.08909 Pic

    21. Bijay Kumar Agarwalla and Dvira Segal
      Energy current and its statistics in the nonequilibrium spin-boson model: Majorana fermion representation
      New J. Phys. 19, 043030 (2017).
      arXiv:1612.01008 Pic

    22. Hava Friedman, Bijay Kumar Agarwalla, Dvira Segal,
      Effects of vibrational anharmonicity on molecular electronic conduction and thermoelectric efficiency
      J. Chem. Phys. 146, 092303 (2017) Pic

      2016 back to top  
    23. Roman Korol, Michael Kilgour, and Dvira Segal
      Thermopower of molecular junctions: Tunneling to hopping crossover in DNA.
      JCP 145, 224702 (2016)
    24. Hyehwang Kim, Michael Kilgour, and Dvira Segal
      Intermediate coherent-incoherent charge transport: DNA as a case study.
      J. Phys. Chem. C 120 (42), 23951-23962 (2016).
    25. Bijay Kumar Agarwalla, Manas Kulkarni, Shaul Mukamel, Dvira Segal,
      Giant photon gain in large-scale quantum dot circuit-QED systems Pic
      arXiv:1606.01922 ,
      Phys. Rev. B 94, 121305(R) (2016).

    26. Bijay Kumar Agarwalla, Manas Kulkarni, Shaul Mukamel, Dvira Segal,
      Tunable photonic cavity coupled to a voltage-biased double quantum dot system: Diagrammatic NEGF approach
      Phys. Rev. B 94, 035434 (2016). Pic

    27. M. Kilgour and D. Segal,
      Inelastic effects in molecular transport junctions: The probe technique at high bias Pic
      J. Chem. Phys. 144, 124107 (2016)

    28. B. K. Agarwalla and D. Segal
      Reconciling perturbative approaches in phonon assisted transport junctions Pic arXiv:1512.01740
      JCP 144, 074102 (2016)

    29. D. Segal and B. K. Agarwalla
      Vibrational Heat Transport in Molecular Junctions
      Annu. Rev. Phys. Chem. 2016. 67, 185-209.
      DOI 10.1146/annurev-physchem-040215-112103
      arXiv:1506.08936 Pic


      2015 back to top  
    30. B. K. Agarwalla, J.-H. Jiang and D. Segal
      Full counting statistics of vibrationally-assisted electronic conduction: transport and fluctuations of the thermoelectric efficiency
      Pic Phys. Rev. B 92, 245418 (2015) (18 pages)

    31. B. K. Agarwalla, J.-H. Jiang and D. Segal
      Thermoelectricity in molecular junctions with harmonic and anharmonic modes arXiv:1506.03102
      Beilstein J. Nanotechnol. 6, 2129-2139 (2015).
      Thematic series on ''Molecular machines and Devices"

    32. Michael Kilgour and Dvira Segal
      Pic Tunneling diodes with environmental effects
      J. Phys. Chem. C, 119, 25291–25297 (2015) arXiv:1509.03006

    33. Jun Jing, Dvira Segal, Baowen Li, Lian-Ao Wu
      Transient unidirectional energy flow and diode-like phenomenon induced by non-Markovian environments
      Pic arXiv:1507.00816
      Scientific Reports 5, 15332 (2015) (8 pages)

    34. Edward Taylor and D. Segal
      Thermoelectric performance of strongly-correlated quantum impurity models Pic
      Phys. Rev. B 92, 125401 (2015)

    35. J.-H. Jiang, M. Kulkarni, D. Segal, and Y. Imry
      Phonon-thermoelectric transistors and rectifiers
      Phys. Rev. B 92, 045309 (2015) Pic

    36. M. Kilgour and D. Segal,
      Charge transport in molecular junctions: From tunneling to hopping with the probe technique
      Pic arXiv:1505.00645
      J. Chem. Phys. 143 024111 (2015)

    37. J.-H. Jiang, B. K. Agarwalla, D. Segal,
      Efficiency Statistics and Bounds of Time-Reversal Symmetry Breaking Systems
      Pic arXiv:1503.043010v1
      Phys. Rev. Lett. 115, 040601 (2015)

    38. E. Taylor and D. Segal,
      Quantum bounds on heat transport through nanojunctions,
      Phys. Rev. Lett. 114, 220401 (2015) Pic

    39. L. Simine, W. J. Chen, and D. Segal,
      Can Seebeck coefficient identify quantum interference in molecular conduction?
      arXiv:1412.6175 ; pdf
      Journal of Physical Chemistry C 119 (22), pp 12097-12108 (2015)

      Pic Pic

      2014 back to top  
    40. S. Bedkihal and D. Segal,
      Magnetotransport in Aharonov Bohm interferometers: Exact numerical simulations
      Pic arXiv:1407.5690; pdf
      Phys. Rev. B 90, 235411 2014

    41. Nazim Boudjada and D. Segal,
      From dissipative dynamics to studies of heat transfer at the nanoscale: Analysis of the Spin-Boson Model
      arxiv:1409.3201; pdf
      Pic J. Phys. Chem. A, 118 (47), 11323–11336 (2014)

    42. D. Segal,
      Heat transfer in the spin-boson model: A comparative study in the incoherent tunneling regime
      Pic PRE 90, 012148 (2014).
      arXiv:1405.6358; pdf

    43. L. Simine and D. Segal,
      Electron transport in nanoscale junctions with local anharmonic modes
      Pic J. Chem. Phys. 141, 014704 (2014)
      arXiv:1404.7570; pdf

    44. D. Segal,
      Two-level system in spin baths: Non-adiabatic dynamics and heat transport
      J. Chem. Phys. 140, 164110 (2014).
      arXiv:1403.0897; pdf
      H S S = 1 2 ω 0 σ z + 1 2 Δ σ x + 1 2 ν , j ω j σ z ν , j + 1 2 σ z ν , j λ ν , j σ x ν , j .

    45. A tribute to Paul Brumer in the Canadian Journal of Chemistry pdf Pic
      D. Segal (Guest Editor), Can. J. Chem, 92(2): v (2014).

    46. A. Dodin, S. Garmon, L. Simine, and D. Segal
      Landau-Zener transitions mediated by an environment: population transfer and energy dissipation
      Pic J. Chem. Phys. 140, 124709 (2014)
      arXiv:1401.3770; pdf

      2013 back to top   Pic
    47. S. Bedkihal , M. Bandyopadhyay, and D. Segal
      The probe technique far-from-equilibrium: Magnetic field symmetries of nonlinear transport
      arXiv:1310.1409 pdf (with some extensions over the arXiv version)
      The European Physical Journal B 86 506 (2013)

    48. S. Bedkihal, M. Bandyopadhyay, and D. Segal
      Magnetic field symmetries of nonlinear transport with elastic and inelastic scattering
      Physical Review B 88 155407 (2013) pdf

    49. L. Simine and D. Segal
      Path-integral simulations with fermionic and bosonic reservoirs: Transport and dissipation in molecular electronic junctions
      J. Chem. Phys. 138, 214111 (2013)   Pic pdf

    50. D. Segal
      Pic Qubit-mediated energy transfer between thermal reservoirs: beyond Markovian Master equation
      Phys. Rev. B 87, 195436 (2013) pdf  

    51. S. Garmon, T. Petrosky, L. Simine, and D. Segal
      Amplification of non-Markovian decay due to bound state absorption into continuum
      Progress of Physics 61, 261-275, (2013)   pdf  

    52. Salil Bedkihal, Malay Bandyopadhyay, Dvira Segal
      Flux-dependent occupations and occupation difference in geometrically symmetric and energy degenerate double-dot Aharonov-Bohm interferometers
      Pic 1210.6867
      Phys. Rev. B 87, 045418 (2013)   pdf  

    53. Lian-Ao Wu, Dvira Segal, Paul Brumer
      No-go theorem for ground state cooling given initial system-thermal bath factorization
      Scientific Reports 3, 1824 (2013) Journal website

    54. M. Kulkarni, K. L. Tiwari, and D. Segal
      Full density matrix dynamics for large quantum systems: Interactions, Decoherence and Inelastic effects
      New J. Phys. 15 013014 (2013) pdf

    55. L.-A. Wu, C. X. Yu, and D. Segal,
      Pic Exact dynamics of interacting qubits in a thermal environment: Results beyond the weak coupling limit
      New J. Phys. 15 023044 (2013)   pdf

      2012 back to top  
    56. M. Kulkarni, K. L. Tiwari, and D. Segal
      Towards equilibration and thermalization between finite quantum systems: The role of dephasing effects and inelastic interactions
      Pic arXiv:1206.2408 Phys. Rev. B 86, 155424 (2012)   pdf

    57. L. Simine and D. Segal
      Vibrational cooling, heating, and instability in molecular conducting junctions: Full counting statistics analysis Pic
      pdf Phys. Chem. Chem. Phys. 14 , 13820 - 13834 (2012)

    58. S. Garmon, I. Rotter, N. Hatano, and D. Segal
      Analysis technique for exceptional pointes in open quantum systems and QPT analogy for the appearance of irreversibility Pic
      Int. J. Theo. Phys. 51:3536- 3550 (2012)   pdf

    59. S. Bedkihal and D. Segal
      Pic Dynamics of coherences in the interacting double-dot Aharonov-Bohm interferometer: Exact numerical simulations
      Phys. Rev. B 85, 155324 (2012)   pdf

      back to top   Pic
    60. C. X. Yu, L.-A. Wu, and D. Segal
      Theory of quantum energy transfer in spin chains: From superexchange to ballistic motion
      arXiv:1107.4334 arXiv
      JCP 135, 234508 (2011). pdf

    61. L. Nicolin and D. Segal
      Quantum fluctuation theorem for heat exchange in the strong coupling regime Pic
      Phys. Rev. B, 84, 161414 (2011) pdf

    62. L. Nicolin and D. Segal
      Non-equilibrium spin-boson model: Counting statistics and the heat exchange fluctuation theorem
      JCP 135, 164106 (2011) pdf

    63. M. Bandyopadhyay and D. Segal
      Quantum heat transfer in harmonic chains with self consistent reservoirs: Exact numerical simulations Pic arXiv
      Phys. Rev. E 84, 011151 (2011) pdf

    64. L.-A. Wu and D. Segal, Pic
      Quantum effects in thermal conduction: Nonequilibrium quantum discord and entanglement
      Phys. Rev. A 84, 012319 (2011) pdf

    65. D. Segal, A. J. Millis, and D. R. Reichman,
      Nonequilibrium transport in quantum impurity models: Exact path integral simulations
      PCCP 13, 14378 (2011). pdf
      arXiv:1103.1867v1 arXiv

    66. M. Bandyopadhyay, S. Gupta and D. Segal Pic
      DNA breathing dynamics: Analytic results for distribution functions of relevant Brownian functionals
      Phys. Rev. E 83 0313905 (2011) ; arXiv 1012.0770 pdf

    67. L.-A. Wu and D. Segal,
      Quantum heat transfer: A Born-Oppenheimer method
      Phys. Rev. E 83, 051114 (2011) ; arXiv:1009.2039 pdf

      2010 back to list  
    68. D. Segal, A. J. Millis, and D. R. Reichman, Pic
      Numerically exact path integral simulation of nonequilibrium quantum transport and dissipation
      Phys. Rev. B 82, 205323 (2010).
      Editors' Suggestion pdf

    69. Y. Zhou and D. Segal Pic
      Interface effects in thermal conduction through molecular junctions: Numerical simulations
      JCP 133 094101 (2010). pdf

    70. Y. Zhou and D. Segal
      Pic Minimal model of a heat engine: An information theory approach
      Phys. Rev. E 82, 011120 (2010) pdf

    71. L.-A. Wu, D. Segal, Inigo L. Egusquiza, and P. Brumer Pic
      Universality in exact quantum state population dynamics and control
      Phys. Rev. A, 82, 032307 (2010). pdf

    72. L. Nicolin and D. Segal Pic
      Thermal conductance of the Fermi-Pasta-Ulam chains: Atomic to mesoscopic transition
      Phys. Rev. E 81, 040102 (2010) (Rapid) pdf

    73. C. X. Yu, L.-A. Wu, and D. Segal
      Symmetry properties of the heat current in non-ballistic asymmetric junctions: A case study
      Phys. Lett. A 374, 765 (2010). pdf

      2009 back to list  
    74. Pic L.-A. Wu, C. X. Yu, and D. Segal
      Nonlinear quantum heat transfer in hybrid structures: Sufficient conditions for thermal rectification. pdf
      PRE 80, 041103 (2009).

    75. L.-A. Wu, S. S. Wu, and D. Segal
      Looking into DNA breathing dynamics via quantum physics
      arXiv:0902.3850. pdf
      Phys Rev. E 79, 061901 (2009).

    76. L.-A. Wu and D. Segal, Pic
      Sufficient conditions for thermal rectification in hybrid quantum structures
      Phys. Rev. Lett. 102, 095503 (2009). pdf

    77. D. Segal,
      Vibrational relaxation in the Kubo oscillator: Stochastic pumping of heat
      J. Chem. Phys. 130, 134510 (2009). pdf

    78. D. Segal, Pic
      Absence of thermal rectification in asymmetric harmonic chains with self consistent reservoirs: An exact analysis.
      Phys. Rev. E 79, 012103 (2009). pdf

    79. L.-A. Wu and D. Segal,
      Energy flux operator, current conservation and the formal Fourier's law,
      J. Phys. A: Math. and Theo. 42, 025302 (2009). pdf

      2008 back to list  
    80. Pic D. Segal,
      Stochastic pumping of heat: Approaching the Carnot efficiency,
      Phys. Rev. Lett. 101, 260601 (2008). pdf

    81. D. Segal,
      Thermal conduction in molecular chains: Non-Markovian effects, Pic
      J. Chem. Phys. 128, 224710 (2008). pdf

    82. D. Segal, Pic
      "Single mode heat rectifier: Controlling energy flow between electronic conductors",
      Phys. Rev. Lett. 100, 105901 (2008) pdf

    83. L.-A. Wu and D. Segal,
      " Fourier's law of heat conduction: Quantum mechanical master equation analysis ",
      Phys. Rev. E 77, 060101(R) (2008). pdf

    84. D. Segal, Pic
      "Nonlinear thermal control in an N-terminal junction ",
      Phys. Rev. E 77, 021103 (2008). pdf

      2007 back to list  
    85. D. Segal, D. R. Reichman and A.J. Millis,
      "Nonequilibrium quantum dissipation in spin-fermion systems ",
      Phys. Rev. B 76, 195316 (2007). pdf

    86. D. Segal, D. R. Reichman,
      "Zeno and anti-Zeno dynamics in spin-bath models",
      Phys. Rev. A 76, 012109 (2007). pdf

    87. D. Segal, Pic
      "Heat flow in nonlinear molecular junctions: Master equation analysis ",
      Phys. Rev. B, 73, 205415 (2006). pdf

    88. D. Segal, A. Nitzan, Pic
      "Molecular heat pump",
      Phys. Rev. E.  73, 026109 (2006). pdf

    89. D. Segal, M. Shapiro,
      "Trapping of a single electron in a nanoscale Paul trap",
      Nano Lett.  6, 1622 (2006). pdf

    90. D Segal, T Seideman, G Kurizki, M Shapiro,
      Enhancement of nuclear tunneling through Coulomb-barriers using molecular cages,
      Chemical physics letters 420 (1), 241-244 (2006).

    91. Pic D. Segal, B. E Granger, H. Sadeghpour, P. Kral, M. Shapiro,
      "Tunable bands of electronic image states in nanowire lattices",
      Phys. Rev. Lett. 94,  016402 (2005). pdf

    92. D Segal, P Král, M Shapiro,
      Reentrant onset of chaos in tubular image states,
      The Journal of chemical physics 122 (13), 134705 (2005).

    93. P Král, D Segal, M Shapiro, I Thanopulos, BE Granger, HR Sadeghpour,
      Bands of Image States in Nanowire Lattices and Infrared‐Control of Proteins on Nanotube Ropes,
      Fullerenes, nanotubes, and carbon nanostructures 13 (S1), 267-274 (2005)

    94. D Segal, P Král, M Shapiro,
      Ultraslow phonon-assisted collapse of tubular image states,
      Surface science 577 (1), 86-92 (2005).

    95. D Segal, P Král, M Shapiro,
      Electric and magnetic-field tuning of tubular image states above suspended nanowires,
      Chemical physics letters 392 (4), 314-318 (2004).

    96. D. Segal, A. Nitzan, Heat rectification in molecular junctions
      J. Chem. Phys. 122, 194704 (2005)
    97. D. Segal, A. Nitzan, Pic
      "Spin-boson thermal rectifier",
      Phys. Rev. Lett. 94, 034301 (2005). pdf

    98. D. Segal,
      "Thermoelectric effect in molecular junctions: A tool for revealing transport mechanisms", Pic
      Phys. Rev. B, 72, 165426 (2005). pdf

    99. D. Segal, P. Kral, M. Shapiro,
      " Shaping of detached image states above suspended nanowires ",
      Phys. Rev. B 69, 153405 (2004). pdf

    100. D. Segal, A. Nitzan, P. Hanggi,
      " Thermal conductance through molecular wires ",
      J. Chem. Phys. 119, 6840 (2003). pdf

    101. D. Segal and A. Nitzan,
      Heating in current carrying molecular junctions,
      J. Chem. Phys. 117, 3915-3927 (2002).

    102. D Segal, A Nitzan,
      Conduction in molecular junctions: inelastic effects
      Chemical physics 281 (2), 235-256 (2002) , arXiv:cond-mat/0207048

    103. D Segal, A Nitzan,
      Steady-state quantum mechanics of thermally relaxing systems,
      Chemical Physics 268 (1), 315-335 (2001)

    104. D. Segal, A. Nitzan, M. Ratner, and W. B. Davis,
      Activated conduction in microscopic molecular junctions,
      J. Phys. Chem. B. 104, 2790-2793 (2000).

    105. D. Segal, A. Nitzan, W. B. Davis, M. R. Wasielewsky, and M. A. Ratner,
      Electron transfer rates in bridged molecular systems: A steady state analysis of coherent tunneling and thermal transitions,
      J. Phys. Chem. B. 104, 3817-3829 (2000).

    106. M. Galperin, D. Segal, and A. Nitzan,
      Perturbation theory approach to tunneling: Direct and resonance transmission in super-exchange models,
      J. Chem. Phys. 111 , 1569-1579 (1999)