2023

  1. Cavity-Induced Quantum Interference and Collective Interactions in van der Waals Systems. J. Cao and E. Pollak, arXiv preprint arXiv:2310.12881  
  2. Can natural sunlight induce coherent exciton dynamics? J. Olsina, A. G. Dijkstra, C. Wang, and J. Cao, arXiv:1408.5385  
  3. Efficiency at maximum power of a quantum Carnot engine with temperature tunable baths. J. Liu, C.-Y. Hsieh, and J. Cao, arXiv:1710.06565  
  4. Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Dihao Wang, Olivia C. Fiebig, Dvir Harris, Hila Toporik, Yi Ji, Chern Chuang, Muath Nairat, Ashley L. Tong, John I. Ogren, Stephanie M. Hart, Jianshu Cao, James N. Sturgis, Yuval Mazor, and Gabriela S. Schlau-Cohen, P.N.A.S. 120(28), e2220477120 (2023). https://doi.org/10.1073/pnas.2220477120  
  5. Nanodiscs as a novel approach to resolve inter-protein energy transfer within the photosynthetic membrane of purple bacteria. O. C Fiebig, D. Wang, D. Harris, H. Toporik, Y. Ji, C. Chuang, M. Nairat, A. L. Tong, J. I. Ogren, S. M. Hart, J. Cao, J. N. Sturgis, Y. Mazor, and G. Schlau-Cohen, Biophysical journal 122, 232a (2023). https://doi.org/10.1016/j.bpj.2022.11.1368  
  6. Thermal rate of transmission through a barrier: Exact expansion of up to and including terms of order h4. E. Pollak, J. Cao, Phys. Rev. A 107, 022203 (2023). https://doi.org/10.1103/PhysRevA.107.022203  
  7. Polariton localization and dispersion properties of disordered quantum emitters in multi-mode microcavities: Supplementary Information. G. Engelhardt and J. Cao, Physical Review Letters 130, 213602/1-7 (2023) https://doi.org/10.1103/PhysRevLett.130.213602  

    8. 2022

  8. Generalized Resonance Energy Transfer Theory: Applications to Vibrational Energy Flow in Optical Cavities. J. Cao, J. Phys. Chem. Lett. 13, 10943-10951 (2022). https://doi.org/10.1021/acs.jpclett.2c02707  
  9. Superradiance and Exciton Delocalization in Perovskite Quantum Dot Superlattices. Daria D. Blach, Victoria A. Lumsargis, Daniel E. Clark, Chern Chuang, Kang Wang, Letian Dou, Richard D. Schaller, Jianshu Cao, Christina W. Li and Libai Huang, Nano Lett. 22, 7811-7818 (2022). https://doi.org/10.1021/acs.nanolett.2c02427  
  10. ℏ2 expansion of the transmission probability through a barrier. E. Pollak and J. Cao, J. Chem. Phys. 157, 074109/1-11 (2022). https://doi.org/10.1063/5.0106649  
  11. Long-Range Nonequilibrium Coherent Tunneling Induced by Fractional Vibronic Resonances. R. K. Kessing, P.-Y. Yang, S. R. Manmana, and J. Cao, J. Phys. Chem. Lett. 13, 6831–6838 (2022). https://doi.org/10.1021/acs.jpclett.2c01455  
  12. Bridging the Gap between H- and J-Aggregates: Classification and Supramolecular Tunability for Excitonic Band Structures in 2-Dimensional Molecular Aggregates. A. Deshmukh, N. Geue, N. Bradbury, T. Atallah, C. Chuang, M. Pengshung, J. Cao, E. Sletten, D. Neuhauser and J. Caram, Chem. Phys. Rev. 3, 021401/1-11 (2022). https://doi.org/10.1063/5.0094451  
  13. Higher-Order Photon Statistics as a New Tool to Reveal Hidden Excited States in a Plasmonic Cavity. P. Stegmann, S. N. Gupta, G. Haran and J. Cao, ACS Photonics 9, 2119–2127 (2022). https://doi.org/10.1021/acsphotonics.2c00375  
  14. Unusual dynamical properties of disordered polaritons in microcavities. G. Engelhardt and J. Cao, Phys. Rev. B 105, 064205/1-19 (2022). https://doi.org/10.1103/PhysRevB.105.064205  

    15. 2021

  15. Quantum Effects in Chemical Reactions under Polaritonic Vibrational Strong Coupling P.-Y. Yang and J. Cao, J. Phys. Chem. Lett. 12, 9531–9538 (2021).   https://doi.org/10.1103/PhysRevLett.127.047402
  16. Universal scalings in two-dimensional anisotropic dipolar excitonic systems. C. Chuang and J. Cao, Phys. Rev. Lett. 127(4), 047402/1-6 (2021).   https://doi.org/10.1103/PhysRevLett.127.047402
  17. Understanding the Optimal Cooperativity of Human Glucokinase: Kinetic Resonance in Nonequilibrium Conformational Fluctuations. W. Mu, J. Kong and J. Cao, J. Phys. Chem. Lett. 12, 2900-2904 (2021).   https://doi.org/10.1021/acs.jpclett.1c00438
  18. Dynamical Symmetries and Symmetry-Protected Selection Rules in Periodically Driven Quantum Systems. G. Engelhardt and J. Cao, Phys. Rev. Lett. 126, 090601/1-7 (2021).   https://dx.doi.org/10.1103/PhysRevLett.126.090601

    19. 2020

  19. Steady-State Analysis of Light-harvesting Energy Transfer Driven by Incoherent Light: From Dimers to Networks. P.-Y. Yang and J. Cao, J. Phys. Chem. Lett. 11, 7204-7211 (2020).   https://dx.doi.org/10.1021/acs.jpclett.0c01648
  20. Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion. L. Cupellini, F. Lipparini, and J. Cao, J. Phys. Chem. B 124, 8610-8617 (2020).   https://dx.doi.org/10.1021/acs.jpcb.0c05180
  21. Magnetic field induced symmetry breaking in nonequilibrium quantum networks. J. Thingna, D. Manzano, and J. Cao, New J. Phys. 22, 083026/1-12 (2020).   https://doi.org/10.1088/1367-2630/aba0e4
  22. Unusual Transport Properties with Noncommutative System−Bath Coupling Operators. C. Duan, C.-Y. Hsieh, J. Liu, J. Wu, and J. Cao, J. Phys. Chem. Lett. 11(10), 4080-4085 (2020).   https://dx.doi.org/10.1021/acs.jpclett.0c00985
  23. The stability of spherocyte membranes: Theoretical study. W. Mu, Z. Ou-Yang, and J. Cao, EPL (Europhysics Letters) 128(3), 38001/1-7 (2020).   https://doi.org/10.1209/0295-5075/128/38001
  24. Temperature-Induced Catch-Slip to Slip Bond Transit in Plasmodium falciparum-Infected Erythrocytes. Y. B. Lim, J. Thingna, F. Kong, M. Dao, J. Cao, and C. T. Lim, Biophysical J. 118(1), 105-116 (2020).   https://doi.org/10.1016/j.bpj.2019.11.016
  25. Quantum Biology Revisited. J. Cao, R. J. Cogdell, D. F. Coker, H.-G. Duan, J. Hauer, U. Kleinekathöfer, T. L. C. Jansen, T. Mančal, R. J. Dwayne Miller, J. P. Ogilvie, V. I. Prokhorenko, T. Renger, H.-S. Tan, R. Tempelaar, M Thorwart, E. Thyrhaug, S. Westenhoff, and D. Zigmantas, Science Advances 6(14), 1-11 (2020).   https://dx.doi.org/10.1126/sciadv.aaz4888

    26. 2019

  26. Correlative Dark-Field and Photoluminescence Spectroscopy of Individual Plasmon-Molecule Hybrid Nanostructures in a Strong Coupling Regime. M. Wersäll, B. Munkhbat, D. Baranov, F. Herrera, J. Cao, T. J. Antosiewicz and T. Shegai, ACS Photonics 6(10), 2570-2576 (2019).   https://doi.org/10.1021/acsphotonics.9b01079
  27. Generalized Kasha’s Model: T-Dependent Spectroscopy Reveals Short-Range Structures of 2D Excitonic Systems. C. Chuang, D. I. G.Bennett, J. R. Caram, A. Aspuru-Guzik, M. G. Bawendi and J. Cao, Chem. 5(12), 3135-3150 (2019).   https://doi.org/10.1016/j.chempr.2019.08.013
  28. A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport. C. Y. Hsieh, J. Liu, C. Duan and J. Cao, J. Phys. Chem. C 123(28), 17196-17204 (2019).   https://pubs.acs.org/doi/10.1021/acs.jpcc.9b05607
  29. Discontinuities in driven spin-boson systems due to coherent destruction of tunneling: breakdown of the Floquet-Gibbs distribution. G. Engelhardt, G. Platero and J. Cao, Phys. Rev. Lett. 123(12), 120602/1-7 (2019).   https://doi.org/10.1103/PhysRevLett.123.120602
  30. Tuning the Aharonov-Bohm effect with dephasing in nonequilibrium transport. G. Engelhardt and J. Cao, Phys. Rev. B 99(7), 075436/1-12 (2019)   https://doi.org/10.1103/PhysRevB.99.075436
  31. Design Principles for Two-Dimensional Molecular Aggregates Using Kasha's Model: Tunable Photophysics in Near and Short-Wave Infrared. A. P. Deshmukh, D. Koppel, C. Chuang, D. M. Cadena, J. Cao and J. R. Caram, J. Phys. Chem. 123(30), 18702-18710 (2019)   https://doi.org/10.1021/acs.jpcc.9b05060

    32. 2018

  32. Frequency-dependent current noise in quantum heat transfer with full counting statistics. J. Liu, C. -Y. Hsieh, C. Wu, and J. Cao, J. Chem. Phys. 148(23), 234104/1-11 (2018)   https://doi.org/10.1063/1.5025367
  33. Optimal initialization of a quantum system for an efficient coherent energy transfer. Z. Gong, Z. Tang, J. Cao and J. Wu, Chinese J. Chem. Phys. 31(4), 421-432 (2018)   https://doi.org/10.1063/1674-0068/31/cjcp1804068
  34. Interfacial thermal transport with strong system-bath coupling: A phonon delocalization effect. D. He, J. Thingna, and J. Cao, Phys. Rev. B 97(19), 195437/1-7 (2018)   https://doi.org/10.1103/PhysRevB.97.195437
  35. Photochemical control of exciton superradiance in light-harvesting nanotubes. S. Doria, T. S. Sinclair, N. D. Klein, D. I. G. Bennett, C. Chuang, F. S. Freyria, C. P. Steiner, P. Foggi, K. A. Nelson, J. Cao, A. Aspuru-Guzik, S. Lloyd, J. R. Caram, and M. G. Bawendi, ACS Nano 12(5), 4556-4564 (2018)    https://doi.org/10.1021/acsnano.8b00911
  36. Generic schemes for single-molecule kinetics. 3: Self-consistent pathway solutions for nonrenewal processes. D. E. Piephoff and J. Cao, J. Phys. Chem. B 122(17), 4601-4610 (2018)   https://doi.org/10.1021/acs.jpcb.7b10507
  37. Efficiency at maximum power of a laser quantum heat engine enhanced by noise-induced coherence. K. E. Dorfman, D. Xu, and J. Cao, Phys. Rev. E 97(4), 042120/1-8 (2018)   https://doi.org/10.1103/PhysRevE.97.042120
  38. Impact of the lipid bilayer on energy transfer kinetics in the photosynthetic protein LH2. J. I. Ogren, A. L. Tong, S. C. Gordon, A. Chenu, Y. Lu, R. E. Blankenship, J. Cao, and G. S. Schlau-Cohen, Chem. Sci. 9(12), 3095-3104 (2018)   http://dx.doi.org/10.1039/C7SC04814A
  39. A unified stochastic formulation of dissipative quantum dynamics. II. Beyond linear response of spin baths. C.-Y. Hsieh and J. Cao, J. Chem. Phys. 148(1), 014104/1-13 (2018)   https://doi.org/10.1063/1.5018726
  40. A unified stochastic formulation of dissipative quantum dynamics. I. Generalized hierarchical equations. C.-Y. Hsieh and J. Cao, J. Chem. Phys. 148(1), 014103/1-14 (2018)   https://doi.org/10.1063/1.5018725
  41. Nonadiabatic dynamics via the symmetrical quasi-classical method in the presence of anharmonicity. A. Kananenka, C.-Y. Hsieh, J. Cao, and E. Geva, J. Phys. Chem. Lett. 9(2), 319-326 (2018)   https://doi.org/10.1021/acs.jpclett.7b03002

    42. 2017

  42. Initial system-environment correlations via the transfer tensor method. M. Buser, J. Cerrillo, G. Schaller, and J. Cao, Phys. Rev. A 96(6), 062122/1-8 (2017)   https://doi.org/10.1103/PhysRevA.96.062122
  43. Light adaptation in phycobilisome antennas: Influence on the rod length and structural arrangement. A. Chenu, N. Karen, Y. Paltiel, R. Nevo, Z. Reich, and J. Cao, J. Phys. Chem. B 121(39), 9196-9202 (2017)   https://doi.org/10.1021/acs.jpcb.7b07781
  44. Graphene oxide inhibits malaria parasite invasion and delays parasitic growth in vitro. Kenry, Y. B. Lim, M. H. Nai, J. Cao, K. P. Loh, and C. T. Lim, Nanoscale 9(37), 14065-14073 (2017)   http://dx.doi.org/10.1039/C7NR06007F
  45. Generic schemes for single-molecule kinetics 2: Information content of the Poisson indicator. T. Avila, D. E. Piephoff, and J. Cao, J. Phys. Chem. B 121(33), 7750-7760 (2017)   https://doi.org/10.1021/acs.jpcb.7b01516
  46. Conformational nonequilibrium enzyme kinetics: Generalized Michaelis−Menten equation. D. E. Piephoff, J. Wu, and J. Cao, J. Phys. Chem. Lett. 8(15), 3619-3623 (2017)   https://doi.org/10.1021/acs.jpclett.7b01210
  47. Single molecule and multiple bond characterization of catch bond associated cytoadhesion in malaria. Y. B. Lim, J. Thingna, J. Cao, and C. T. Lim, Sci. Rep. 7, 4028/1-11 (2017)   https://doi.org/10.1038/s41598-017-04352-x
  48. Zero-temperature localization in a sub-Ohmic spin-boson model investigated by an extended hierarchy equation of motion. C. Duan, Z. Tang, J. Cao, and J. Wu, Phys. Rev. B 95(21), 214308/1-8 (2017)   https://doi.org/10.1103/PhysRevB.95.214308
  49. Quantum simulation of generic many-body open system dynamics using classical noise. A. Chenu, M. Beau, J. Cao, and A. del Campo, Phys. Rev. Lett. 118(14), 140403/1-6 (2017)   https://doi.org/10.1103/PhysRevLett.118.140403
  50. Expression dynamics and physiologically relevant functional study of STEVOR in asexual stages of Plasmodium falciparum infection. H. Singh, K. Madnani, Y. B. Lim, J. Cao, P. R. Preiser, and C. T. Lim, Cell. Microbiol. 19(6), e12715/1-11 (2017)   https://doi.org/10.1111/cmi.12715
  51. Unifying quantum heat transfer in a nonequilibrium spin-boson model with full counting statistics. C. Wang, J. Ren, and J. Cao, Phys. Rev. A 95(2), 023610/1-10 (2017)   https://doi.org/10.1103/PhysRevA.95.023610
  52. Construction of multichromophoric spectra from monomer data: Applications to resonant energy transfer. A. Chenu and J. Cao, Phys. Rev. Lett. 118(1), 013001/1-6 (2017)   https://doi.org/10.1103/PhysRevLett.118.013001

    53. 2016

  53. Accurate long-time mixed quantum-classical Liouville dynamics via the transfer tensor method. A. A. Kananenka, C.-Y. Hsieh, J. Cao, and E. Geva, J. Phys. Chem. Lett. 7(23), 4809-4814 (2016)   https://doi.org/10.1021/acs.jpclett.6b02389
  54. tRNA-mediated Codon-biased Translation in Mycobacterial Hypoxic Persistence. Y. H. Chionh, M. McBee, I. Babu, F. Hia, W. Lin, W. Zhao, J. Cao, A. Dziergowska, A. Malkiewicz, T. Begley, S. Alonso, and P. Dedon, Nat. Comm. 7. 13302/1-12 (2016)   https://doi.org/10.1038/ncomms13302
  55. The effects of cell asynchrony on gene expression levels: Analysis and application to Plasmodium falciparum. W. Zhao, J. Dauwels, and J. Cao, IEEE J. Biomed. Health Inform. 19(4), 1301-1307 (2016)   https://doi.org/10.1109/JBHI.2015.2434499
  56. Dynamical signatures of molecular symmetries in nonequilibrium quantum transport. J. Thingna, D. Manzano, and J. Cao, Sci. Rep. 6, 28027/1-11 (2016)   https://doi.org/10.1038/srep28027
  57. Quantum diffusion on molecular tubes: Universal scaling of the 1D to 2D transition. C. Chuang, C. K. Lee, J. M. Moix, J. Knoester, and J. Cao, Phys. Rev. Lett. 116(19), 196803/1-6 (2016)   https://doi.org/10.1103/PhysRevLett.116.196803
  58. Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach. D. Xu and J. Cao, Front. Phys. 11, 110308/1-17 (2016)   https://doi.org/10.1007/s11467-016-0540-2
  59. Transitions in genetic toggle switches driven by dynamic disorder in rate coefficients. H. Chen, P. Thill, and J. Cao, J. Chem. Phys. 144(17), 175104/1-8 (2016)   https://doi.org/10.1063/1.4948461
  60. Quantum transport in d-dimensional lattices. D. Manzano, C. Chuang, and J. Cao, New J. Phys. 18(4), 043044/1-10 (2016)   https://doi.org/10.1088/1367-2630/18/4/043044
  61. How two-dimensional brick layer J-aggregates differ from linear ones: Excitonic properties and line broadening mechanisms. A. G. Dijkstra, H.-G. Duan, J. Knoester, K. A. Nelson, and J. Cao, J. Chem. Phys. 144(13), 134310/1-10 (2016)   https://doi.org/10.1063/1.4944980
  62. Efficient simulation of non-Markovian system-environment interaction. R. Rosenbach, J. Cerrillo, S. F. Huelga, J. Cao, and M. B. Plenio, New J. Phys. 18(2), 023035/1-11 (2016)   http://dx.doi.org/10.1088/1367-2630/18/2/023035
  63. Polaron effects on the performance of light-harvesting systems: A quantum heat engine perspective. D. Xu, C. Wang, Y. Zhao, and J. Cao, New J. Phys. 18(2), 023003/1-14 (2016)   http://dx.doi.org/10.1088/1367-2630/18/2/023003
  64. Evolution of the single-nanocrystal photoluminescence linewidth with size and shell: Implications for exciton-phonon coupling and the optimization of spectral linewidths. J. Cui, A. P. Beyler, I. Coropceanu, L. Cleary, T. R. Avila, Y. Chen, J. M. Cordero, S. L. Heathcote, D. K. Harris, O. Chen, J. Cao, and M. G. Bawendi, Nano Lett. 16(1), 289-296 (2016)   https://doi.org/10.1021/acs.nanolett.5b03790

    65. 2015

  65. Stiffening of red blood cells induced by cytoskeleton disorders: A joint theory-experiment study. L. Lai, X. Xu, C. T. Lim, and J. Cao, Biophys. J. 109(11), 2287-2294 (2015)   https://doi.org/10.1016/j.bpj.2015.10.036
  66. Large area directed self-assembly of sub-10 nm particles with single particle positioning resolution. M. Asbahi, S. Mehraeen, F. Wang, N. Yakovlev, K. S. L. Chong, J. Cao, M. C. Tan, and J. K. W. Yang, Nano Lett. 15(9), 6066-6070 (2015)   https://doi.org/10.1021/acs.nanolett.5b02291
  67. Nonequilibrium energy transfer at nanoscale: A unified theory from weak to strong coupling. C. Wang, R. Jie, and J. Cao, Sci. Rep. 5, 11787/1-10 (2015)   https://doi.org/10.1038/srep11787
  68. Coherent quantum transport in disordered systems: A unified polaron treatment of hopping and band-like transport. C. K. Lee, J. M. Moix, and J. Cao, J. Chem. Phys. 142(16), 164103/1-7 (2015)   https://doi.org/10.1063/1.4918736
  69. Directed self-assembly of sub-10 nm particles: Role of driving forces and template geometry in packing and ordering. S. Mehraeen, M. Asbahi, W. Fuke, J. K. W. Yang, J. Cao, and M. C. Tan, Langmuir 31(31), 8548-8557 (2015)   https://doi.org/10.1021/acs.langmuir.5b01696
  70. A continued fraction resummation form of bath relaxation effect in the spin-boson model. Z. Gong, Z. Tang, S. Mukamel, J. Cao, and J. Wu, J. Chem. Phys. 142(8), 084103/1-9 (2015)   https://doi.org/10.1063/1.4913198
  71. Minimal model of quantum kinetic clusters for the energy-transfer network of a light-harvesting protein complex. J. Wu, Z. Tang, Z. Gong, J. Cao, and S. Mukamel, J. Phys. Chem. Lett. 6(7), 1240-1245 (2015)   https://doi.org/10.1021/acs.jpclett.5b00227
  72. Coherent exciton dynamics in the presence of underdamped vibrations. A. G. Dijkstra, C. Wang, J. Cao, and G. R. Fleming, J. Phys. Chem. Lett. 6(4), 627-632 (2015)   https://doi.org/10.1021/jz502701u
  73. Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. III. Exact stochastic path integral evaluation. J. Moix, J. Ma, and J. Cao, J. Chem. Phys. 142(9), 094108/1-9 (2015)   https://doi.org/10.1063/1.4908601
  74. Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. II. Hybrid cumulant expansion. J. Ma, J. Moix, and J. Cao, J. Chem. Phys. 142(9), 094107/1-8 (2015)   https://doi.org/10.1063/1.4908600
  75. Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. I. Full cumulant expansions and system-bath entanglement. J. Ma and J. Cao, J. Chem. Phys. 142(9), 094106/1-13 (2015)   https://doi.org/10.1063/1.4908599

    76. 2014

  76. Translocation of a forced polymer chain through a crowded channel. J. X. Chen, J. X. Zhu, Y. Q. Ma, and J. Cao, Europhys. Lett. 106(1), 18003/1-6 (2014)   https://doi.org/10.1209/0295-5075/106/18003
  77. Correlated local bending of a DNA double helix and its effect on DNA flexibility in the sub-persistence-length regime. X. L. Xu, B. J. R. Thio, and J. Cao, J. Phys. Chem. Lett. 5(16), 2868-2873 (2014)   https://doi.org/10.1021/jz501290b
  78. Spectrins in axonal cytoskeletons: Dynamics revealed by extensions and fluctuations. L. Lai and J. Cao, J. Chem. Phys. 141(1), 015101/1-7 (2014)   https://doi.org/10.1063/1.4885720
  79. Excitonic effects from geometric order and disorder explain broadband optical absorption in eumelanin. C. Chen, C. Chuang, J. Cao, V. Ball, D. Ruch, and M. J. Buehler, Nat. Commun. 5, 3859/1-10 (2014)   https://doi.org/10.1038/ncomms4859
  80. Template-induced structure transition in sub-10 nm self-assembling nanoparticles. M. Asbahi, S. Mehraeen, K. T. P. Lim, F. Wang, J. Cao, M. C. Tan, and J. K. W. Yang, Nano Lett. 14(5), 2642-2646 (2014)   https://doi.org/10.1021/nl5004976
  81. Scaling relations and optimization of excitonic energy transfer rates between one-dimensional molecular aggregates. C. Chuang, J. Knoester, and J. Cao, J. Phys. Chem. B 118(28), 7827-7834 (2014)   https://doi.org/10.1021/jp4124502
  82. Optimal tunneling enhances the quantum photovoltaic effect in double quantum dots. C. Wang, J. Ren, and J. Cao, New J. Phys. 16, 045019/1-16 (2014)   http://dx.doi.org/10.1088/1367-2630/16/4/045019
  83. Coherent quantum transport in disordered systems: II. Temperature dependence of carrier diffusion coefficients from the time-dependent wavepacket diffusion method. X. Zhong, Y. Zhao, and J. Cao, New J. Phys. 16, 045009/1-15 (2014)   http://dx.doi.org/10.1088/1367-2630/16/4/045009
  84. Non-Markovian dynamical maps: Numerical processing of open quantum trajectories. J. Cerrillo and J. Cao, Phys. Rev. Lett. 112(11), 110401/1-5 (2014)   https://doi.org/10.1103/PhysRevLett.112.110401
  85. Shape transition of unstrained flattest single-walled carbon nanotubes under pressure. W. Mu, J. Cao, and Z. Ou-Yang, J. Appl. Phys. 115(4), 044512/1-6 (2014)   https://doi.org/10.1063/1.4863455

    86. 2013

  86. Optimal thermal bath for robust excitation energy transfer in disordered light-harvesting complex 2 of purple bacteria. L. Cleary and J. Cao, New J. Phys. 15, 125030/1-13 (2013)   https://doi:10.1088/1367-2630/15/12/125030
  87. A hybrid stochastic hierarchy equations of motion approach to treat the low temperature dynamics of non-Markovian open quantum systems. J. M. Moix and J. Cao, J. Chem. Phys. 139(13), 134106/1-9 (2013)   https://doi.org/10.1063/1.4822043
  88. Modeling spatial correlation of DNA deformation: DNA allostery in protein binding. X. L. Xu, H. Ge, C. Gu, Y. Q. Gao, S. S. Wang, B. J. R. Thio, J. T. Hynes, X. S. Xie, and J. Cao, J. Phys. Chem. B 117(42), 13378-13387 (2013)   https://doi.org/10.1021/jp4047243
  89. Coherent quantum transport in disordered systems: I. The influence of dephasing on the transport properties and absorption spectra on one-dimensional systems. J. M. Moix, M. Khasin, and J. Cao, New J. Phys. 15, 085010/1-21 (2013)   http://dx.doi.org/10.1088/1367-2630/15/8/085010
  90. Universality of Poisson indicator and Fano factor of transport event statistics in ion channels and enzyme kinetics. S. Chaudhury, J. Cao, and N. A. Sinitsyn, J. Phys. Chem. B 117(2), 503-509 (2013)   https://doi.org/10.1021/jp3096659
  91. Optimal fold symmetry of LH2 rings on a photosynthetic membrane. L. Cleary, H. Chen, C. Chuang, R. J. Silbey, and J. Cao, Proc. Natl. Acad. Sci. USA 110(21), 8537-8542 (2013)   https://doi.org/10.1073/pnas.1218270110
  92. Generic mechanism of optimal energy transfer efficiency: A scaling theory of the mean first-passage time in exciton systems. J. Wu, R. J. Silbey, and J. Cao, Phys. Rev. Lett. 110(20), 200402/1-5 (2013)   https://doi.org/10.1103/PhysRevLett.110.200402
  93. Probing the cytoadherence of malaria infected red blood cells under flow. X. Xu, A. K. Efremov, A. Li, L. Lai, M. Dao, C. T. Lim, and J. Cao, PLOS ONE 8(5), e64763/1-8 (2013)   https://dx.doi.org/10.1371%2Fjournal.pone.0064763
  94. A novel construction of complex-valued Gaussian processes with arbitrary spectral densities and its application to excitation energy transfer. X. Chen, J. Cao, and R. J. Silbey, J. Chem. Phys. 138(22), 224104/1-14 (2013)   https://doi.org/10.1063/1.4808377
  95. Higher-order kinetic expansion of quantum dissipative dynamics: Mapping quantum networks to kinetic networks. J. Wu and J. Cao, J. Chem. Phys. 139(4), 044102/1-13 (2013)   https://doi.org/10.1063/1.4812781

    96. 2012

  96. Reaction event counting statistics of biopolymer reaction systems with dynamic heterogeneity. Y. R. Lim, S. J. Park, B. J. Park, J. Cao, R. J. Silbey, and J. Sung, J. Chem. Theory Comput. 8(4), 1415-1425 (2012)   https://doi.org/10.1021/ct200785q
  97. Equilibrium-reduced density matrix formulation: Influence of noise, disorder, and temperature on localization in excitonic systems. J. Moix, Y. Zhao, and J. Cao, Phys. Rev. B 85(11), 115412/1-14 (2012)   https://doi.org/10.1103/PhysRevB.85.115412
  98. Accuracy of second order perturbation theory in the polaron and variational polaron frames. C. K. Lee, J. Moix, and J. Cao, J. Chem. Phys. 136(20), 204120/1-7 (2012)   https://doi.org/10.1063/1.4722336
  99. Computational synchronization of microarray data with application to Plasmodium falciparum. W. Zhao, J. Dauwels, J. C. Niles, and J. Cao, Proteome Science 10(Suppl 1):S10 1-17 (2012)   https://doi.org/10.1186/1477-5956-10-S1-S10
  100. Excitonic energy transfer in light-harvesting complexes in purple bacteria. J. Ye, K. Sun, Y. Zhao, Y. Yu, C. K. Lee, and J. Cao, J. Chem. Phys. 136(24), 245104/1-17 (2012)   https://doi.org/10.1063/1.4729786
  101. Noncanonical statistics of a spin-boson model: Theory and exact Monte Carlo simulations. C. K. Lee, J. Cao, and J. Gong, Phys. Rev. E 86(2), 021109/1-7 (2012)   https://doi.org/10.1103/PhysRevE.86.021109
  102. Efficient energy transfer in light-harvesting systems: Quantum-classical comparison, flux network, and robustness analysis. J. Wu, F. Liu, J. Ma, R. J. Silbey, and J. Cao, J. Chem. Phys. 137, 174111/1-12 (2012)   https://doi.org/10.1063/1.4762839

    103. 2011

  103. Michaelis-Menten equation and detailed balance in enzymatic networks. J. Cao, J. Phys. Chem. B, 115(18), 5493-5498 (2011)   https://doi.org/10.1021/jp110924w
  104. Quantitative interpretation of the randomness in single enzyme turnover times. S. Yang, J. Cao, R. J. Silbey, and J. Sung, Biophys. J. 101(3), 519-524 (2011)   https://doi.org/10.1016/j.bpj.2011.06.022
  105. Bistability of cell adhesion in shear flow. A. Efremov and J. Cao, Biophys. J. 101(5), 1032-1040 (2011)   https://doi.org/10.1016/j.bpj.2011.07.026
  106. Efficient energy transfer in light-harvesting systems, III: The influence of the eighth bacteriochlorophyll on the dynamics and efficiency in FMO. J. Moix, J. Wu, P. Huo, D. Coker, and J. Cao, J. Phys. Chem. Lett. 2, 3045-3052 (2011)   https://doi.org/10.1021/jz201259v
  107. Stochastic resonance of quantum discord. C. K. Lee, L. C. Kwek, and J. Cao, Phys. Rev. A 84, 062113/1-5 (2011)   https://doi.org/10.1103/PhysRevA.84.062113
  108. Generalized Michaelis-Menten equation for conformation-modulated monomeric enzymes. J. Wu and J. Cao, Adv. Chem. Phys. 146, 329-365 (2011)   https://doi.org/10.1002/9781118131374.ch12

    109. 2010

  109. Noise-induced dynamic symmetry breaking and stochastic transitions in ABA molecules: II. Symmetric-antisymmetric normal mode switching. M. Kryvohuz and J. Cao, Chem. Phys. 370, 258-269 (2010) [feature article]   https://doi.org/10.1016/j.chemphys.2010.02.024
  110. Noise-induced dynamic symmetry breaking and stochastic transitions in ABA molecules: I. Classification of vibrational modes. M. Kryvohuz and J. Cao, J. Phys. Chem. B 114(19), 6549-6560 (2010)   https://doi.org/10.1021/jp102675y
  111. Optimal efficiency of self-assembling light-harvesting arrays. J. Kim and J. Cao, J. Phys. Chem. B 114, 16189-16197 (2010)   https://doi.org/10.1021/jp106838k
  112. Efficient energy transfer in light-harvesting systems, I: Optimal temperature, reorganization energy and spatial-temporal correlations. J. Wu, F. Liu, Y. Shen, J. Cao, and R. J. Silbey, New J. Phys. 12, 105012/1-17 (2010)   https://doi.org/10.1088/1367-2630/12/10/105012

    113. 2009

  113. The influence of dissipation on the quantum-classical correspondence: Stability of stochastic trajectories. M. Kryvohuz and J. Cao, J. Chem. Phys. 130(23), 234107/1-10 (2009)   https://doi.org/10.1063/1.3154142
  114. Optimization of exciton trapping in energy transfer processes. J. Cao and R. J. Silbey, J. Phys. Chem. A 113(50), 13825-13838 (2009) [feature article] https://doi.org/10.1021/jp9032589
  115. Width of phonon sidebands in the Brownian oscillator model. J. Ye, Y. Zhao, N. Ng, and J. Cao, J. Phys. Chem. B 113, 5897-5904 (2009)   https://doi.org/10.1021/jp809425g

    116. 2008

  116. Analysis of the Entire Sequence of a Single Photon Experiment on a Flavin Protein. J. Witkoskie and J. Cao, J. Phys. Chem. B 112(19), 5988-5996 (2008)   https://doi.org/10.1021/jp075980p
  117. Generic schemes for single-molecule kinetics: 1: Self-consistent pathway solutions for renewal processes. J. Cao and R. J. Silbey, J. Phys. Chem. B 112, 12867-12880 (2008)   https://doi.org/10.1021/jp803347m
  118. Memory effects in single-molecule time series. J. Cao, Theory and Evaluation of Single-molecule Signals. Ed. E. Barkai, F. L. H. Brown, M. Orrit, and H. Yang. Singapore: World Scientific, p245 (2008)
  119. Suppression of photon-echo as a signature of chaos. M. Kryvohuz, J. Cao and S. Mukamel, J. Phys. Chem. B 112, 15999-16007 (2008)   https://doi.org/10.1021/jp804604h

    120. 2007

  120. Polarization selectivity of third-order and fifth-order Raman spectroscopies in liquids and solids. J. Wu, J. Cao and J. Fourkas, J. Phys. Chem. A 111(38), 9627-9631 (2007)   https://doi.org/10.1021/jp074716t
  121. On the thermodynamics of the liquid-solid transition in a small cluster. A. Zhukov, A.Kraynyukova and J. Cao, Phys. Lett. A 364(3-4), 329-334 (2007)   https://doi.org/10.1016/j.physleta.2006.12.004
  122. Extracting the number of quantum dots in a microenvironment from ensemble fluorescence intensity fluctuations. I. Chung, J. Witkoskie, J. Zimmer, J. Cao and M. Bawendi, Phys. Rev. B 75, 045311/1-6 (2007)   https://doi.org/10.1103/PhysRevB.75.045311

    123. 2006

  123. Classical divergence of nonlinear response functions. M. Kryvohuz and J. Cao, Phys. Rev. Lett. 96, 030403/1-4 (2006)   https://doi.org/10.1103/PhysRevLett.96.030403
  124. Description of the fluorescence intensity time trace of collections of CdSe nanocrystal quantum dots based on single quantum dot fluorescence blinking statistics. I. Chung, J. Witkoskie, J. Cao and M. Bawendi, Phys. Rev. E 73, 011106/1-7 (2006)   https://doi.org/10.1103/PhysRevE.73.011106
  125. Ground-state shapes and structures of colloidal domains. J. Wu and J. Cao, Physica A 371(2), 249-255 (2006)   https://doi.org/10.1016/j.physa.2006.05.026
  126. Kinetic theory of non-hamiltonian statistical ensembles. A. V. Zhukov and J. Cao, Condens. Matter Phys. 9, 637-643 (2006)   http://dspace.nbuv.gov.ua/handle/123456789/121375
  127. Testing for renewal and detailed balance violations in single-molecule blinking processes. J. Witkoskie and J. Cao, J. Phys. Chem. B, 110(38), 19009-19017 (2006)   https://doi.org/10.1021/jp061471w
  128. Correlations in single molecule photon statistics: Renewal indicator. J. Cao, J. Phys. Chem. B, 110(38), 19040-19043 (2006)   https://doi.org/10.1021/jp061302b
  129. Aging correlation functions of the interrupted fractional Fokker-Planck propagator. J. Witkoskie and J. Cao, J. Chem. Phys. 125(24), 244511/1-5 (2006)   https://doi.org/10.1063/1.2403874

    130. 2005

  130. Quantum recurrence from a semiclassical resummation. M. Kryvohuz and J. Cao, Chem. Phys. 322, 41-45 (2005)   https://doi.org/10.1016/j.chemphys.2005.07.021
  131. Stability analysis of three-dimensional colloidal domains: Quadratic fluctuations. J. Wu and J. Cao, J. Phys. Chem. B 109(45), 21342-21349 (2005)   https://doi.org/10.1021/jp0524431
  132. Quantum-classical correspondence in response theory. M. Kryvohuz and J. Cao, Phys. Rev. Lett. 95, 180405/1-4 (2005)   https://doi.org/10.1103/PhysRevLett.95.180405
  133. High-order mode-coupling theory for the colloidal glass transition. J. Wu and J. Cao, Phys. Rev. Lett. 95, 078301/1-4 (2005)   https://doi.org/10.1103/PhysRevLett.95.078301
  134. Stationary phase evaluations of quantum rate constants. S. Yang and J. Cao, J. Chem. Phys. 122(9), 094108/1-10 (2005)   https://doi.org/10.1063/1.1856461
  135. Phase and orientational ordering of A-B-A tri-block co-polymers guest in a quenched host of low molecular weight rod molecules. L. Gutman, J. Cao, T. Swager, and E. Thomas, Chem. Phys. Lett. 408(1-3), 139-144 (2005)   https://doi.org/10.1016/j.cplett.2005.03.151
  136. Nondivergent classical response functions from uncertainty principle: Quasiperiodic systems. M. Kryvohuz and J. Cao, J. Chem. Phys. 122(2), 024109/1-17 (2005)   https://doi.org/10.1063/1.1827212
  137. Low-temperature thermal transport in nanowires. A. Zhukov, S.Yang, and J. Cao, JETP Lett. 81(4), 190-194 (2005)   https://doi.org/10.1134/1.1914879

    138. 2004

  138. Structural arrest transitions in fluids described by two Yukawa potentials. J. Wu, Y. Liu, W. Chen, J. Cao, and S. Chen, Phys. Rev. E 70, 050401/1-4 (2004)   https://doi.org/10.1103/PhysRevE.70.050401"
  139. A semiclassical study of wave packet dynamics in anharmonic potentials. S. Yang, J. Cao, and R. W. Field, J. Chem. Phys. 121(14), 6599-6607 (2004)   https://doi.org/10.1063/1.1791131"
  140. Nonperturbative vibrational energy relaxation effects on vibrational line-shapes. S. Yang, J. Shao, and J. Cao, J. Chem. Phys. 121(22), 11250-11271 (2004)   https://doi.org/10.1063/1.1812748
  141. Theoretical analysis and computer simulation of fluorescence lifetime measurements. II. Contour length dependence of single polymers. S. Yang and J. Cao, J. Chem. Phys. 121(1), 572-581 (2004)   https://doi.org/10.1063/1.1756578
  142. Theoretical analysis and computer simulation of fluorescence lifetime measurements. I. Kinetic regimes and experimental time scales. S. Yang and J. Cao, J. Chem. Phys. 121(1), 562-571 (2004)   https://doi.org/10.1063/1.1756577
  143. Single molecule kinetics. II. Numerical Bayesian approach. J. Witkoskie and J. Cao, J. Chem. Phys. 121(13), 6373-6379 (2004)   https://doi.org/10.1063/1.1785784
  144. Single molecule kinetics. I. Theoretical analysis of indicators. J. Witkoskie and J. Cao, J. Chem. Phys. 121(13), 6361-6372 (2004)   https://doi.org/10.1063/1.1785783
  145. Phase and orientational ordering of low molecular weight rod molecules in a quenched liquid crystalline polymer matrix with mobile side chains. L. Gutman, J. Cao, and T. Swager, J. Chem. Phys. 120(23), 11316-11326 (2004)   https://doi.org/10.1063/1.1739211
  146. Orientational ordering of short LC rods in an anisotropic liquid crystalline polymer glass. L. Gutman, J. Cao, T. Swager, and E. Thomas, Chem. Phys. Lett. 389(1-3), 198-203 (2004)   https://doi.org/10.1016/j.cplett.2004.02.086
  147. Scaling and universality of inherent structure simulations. J. Witkoskie and J. Cao, Phys. Rev. E 69(6), 061108/1-10 (2004)   https://doi.org/10.1103/PhysRevE.69.061108
  148. East model: Basis set expansion, mode coupling, and irreducible memory kernels. J. Wu and J. Cao, J. Phys. Chem. B 108(21), 6796-6808 (2004)   https://doi.org/10.1021/jp037579i
  149. Basis set study of classical rotor lattice dynamics. J. Witkoskie, J. Wu, and J. Cao, J. Chem. Phys. 120(12), 5695-5708 (2004)   https://doi.org/10.1063/1.1649735

    150. 2003

  150. First-principle path integral study of DNA under hydrodynamic flows. S. Yang, J. Witkoskie and J. Cao, Chem. Phys. Lett. 377(3-4), 399-405 (2003)   https://doi.org/10.1016/S0009-2614(03)01135-7
  151. Gaussian factorization of hydrodynamic correlation functions and mode-coupling memory kernels. J. Wu and J. Cao, Phys. Rev. E 67(6), 061116/1-12 (2003)   https://doi.org/10.1103/PhysRevE.67.061116

    152. 2002

  152. Brownian motion in dynamically disordered media. J. Witkoskie, S. Yang, and J. Cao, Phys. Rev. E 66(5), 051111/1-15 (2002)   https://doi.org/10.1103/PhysRevE.66.051111
  153. Single-molecule dynamics of semiflexible Gaussian chains. S. Yang, J. Witkoskie, and J. Cao, J. Chem. Phys. 117(24), 11010-11023 (2002)   https://doi.org/10.1063/1.1521156
  154. Direct measurements of memory effects in single-molecule kinetics. S. Yang and J. Cao, J. Chem. Phys. 117(24), 10996-11009 (2002)   https://doi.org/10.1063/1.1521155
  155. On the temperature dependence of molecular line shapes due to linearly coupled phonon bands. S. Jang, J. Cao, and R. Silbey, J. Phys. Chem. B 106(33), 8313-8317 (2002)   https://doi.org/10.1021/jp0208440
  156. Semiclassical modeling of Rydberg wave-packet dynamics in diatomic molecules: Averge decoupling theory. S. Altunata, J. Cao, and R. W. Field, Phys. Rev. A 65(5), 053415/1-16 (2002)   https://doi.org/10.1103/PhysRevA.65.053415
  157. Fourth-order quantum master equation and its Markovian bath limit. S. Jang, J. Cao, and R. Silbey, J. Chem. Phys. 116(7), 2705-2717 (2002)   https://doi.org/10.1063/1.1445105
  158. Spectral analysis of electron transfer kinetics. II. Y. Jung and J. Cao, J. Chem. Phys. 117(8), 3822-3836 (2002)   https://doi.org/10.1063/1.1491241
  159. Calculations of nonlinear spectra of liquid Xe. I. Third-order Raman response. J. Cao, J. Wu and S. Yang, J. Chem. Phys. 116(9), 3739-3759 (2002)   https://doi.org/10.1063/1.1445745
  160. Calculations of nonlinear spectra of liquid Xe. II. Fifth-order Raman response. J. Cao, J. Wu, and S. Yang, J. Chem. Phys. 116(9), 3760-3776 (2002)   https://doi.org/10.1063/1.1445746
  161. Optimal quantum control in dissipative environments: General formalism and perturbative limits. S. Jang and J. Cao, Laser Control and Manipulation of Molecules. Ed. A. D. Bandrauk, Y. Fujimura, and R. J. Gordon. Washington DC: American Chemical Society(2002)

    162. 2001

  162. Nonadiabatic instanton calculation of multistate electron transfer reaction rate: Interference effects in three and four states systems. S. Jang and J. Cao, J. Chem. Phys. 114(22), 9959-9968 (2001)   https://doi.org/10.1063/1.1371262
  163. Two-event echos in single-molecule kinetics: A signature of conformational fluctuations. S. Yang and J. Cao, J. Phys. Chem. B 105(28), 6536-6549 (2001)   https://doi.org/10.1021/jp004349k
  164. Linear and nonlinear response functions of the Morse oscillator: Classical divergence and the uncertainty principle. J. Wu and J. Cao, J. Chem. Phys. 115(12), 5381-5391 (2001)   https://doi.org/10.1063/1.1389840
  165. Single molecule waiting time distribution functions in quantum processes. J. Cao, J. Chem. Phys. 114(12), 5137-5140 (2001)   https://doi.org/10.1063/1.1342217
  166. Single molecule tracking of heterogeneous diffusion. J. Cao, Phys. Rev. E 63(4), 041101/1-7 (2001)   https://doi.org/10.1103/PhysRevE.63.041101

    167. 2000

  167. Event-averaged measurements of single-molecule kinetics. J. Cao, Chem. Phys. Lett. 327(1-2), 38-44 (2000)   https://doi.org/10.1016/S0009-2614(00)00809-5
  168. Quantum coherence in nonlinear optical processes: Theory and possible application to control of chemical reaction and quantum computation. J. Cao, J. Lumin. 87-89, 30-34 (2000)   https://doi.org/10.1016/S0022-2313(99)00210-0
  169. Molecular π pulses: Population inversion with positively chirped short pulses. J. Cao, C. J. Bardeen, and K. R. Wilson, J. Chem. Phys. 113(5), 1898-1904 (2000)   https://doi.org/10.1063/1.481993
  170. Spectral analysis of electron transfer kinetics. I. Symmetric reactions. J. Cao and Y. Jung, J. Chem. Phys. 112(10), 4716-4722 (2000)   https://doi.org/10.1063/1.481027
  171. Effects of bath relaxation on dissipative two-state dynamics. J. Cao, J. Chem. Phys. 112(15), 6719-6724 (2000)   https://doi.org/10.1063/1.481247

    172. 1999

  172. Electronic Coherence in Mixed-Valence Systems: Spectral analysis. Y. Jung, R. Silbey, and J. Cao, J. Phys. Chem. A 103(47), 9460-9468 (1999)   https://doi.org/10.1021/jp9917594
  173. Steepest descent path study of electron-transfer reactions. J. Cao, J. Phys. Chem. A 103(49), 10571-10579 (1999)   https://doi.org/10.1021/jp992066q
  174. An adiabatic picture for electron transfer in mixed-valence systems. J. Cao, Chem. Phys. Lett. 312(5-6), 606-612 (1999)   https://doi.org/10.1016/S0009-2614(99)00840-4
  175. Using time-dependent rate equations to describe chirped pulse excitation in condensed phases. C. J. Bardeen, J. Cao, F. L. H. Brown, and K. R. Wilson, Chem. Phys. Lett. 302(5-6), 405-410 (1999)   https://doi.org/10.1016/S0009-2614(99)00175-X
  176. Ultrafast extended x-ray absorption fine structure (EXAFS)-theoretical considerations. F. L. H. Brown, K. R. Wilson, and J. Cao, J. Chem. Phys. 111(14), 6238-6246 (1999)   https://doi.org/10.1063/1.479928
  177. A unified approach for calculating quantum rate constants. J. Cao, Path Intregals from peV to TeV: 50 years after Feynman's Paper. Ed. R. Casalbuoni, R. Giachetti, V. Tognetti, R. Vaia, and P. Verrucchi. Singapore: World Scientific (1999)

    178. 1998

  178. Molecular "Π Pulse" for Total Inversion of Electronic State Population. J. Cao, C. J. Bardeen, K. R. Wilson, Phys. Rev. Lett. 80(7), 1406-1409 (1998)   https://doi.org/10.1103/PhysRevLett.80.1406
  179. Ultrafast X-ray diffraction theory: Time-scale considerations. J. Cao and K. R. Wilson, Proceedings of SPIE 3273, 219-224 (1998)   https://doi.org/10.1117/12.306131
  180. Ultrafast X-ray diffraction theory. J. Cao and K. R. Wilson, J. Phys. Chem. A 102(47), 9523-9530 (1998)   https://doi.org/10.1021/jp982054p
  181. Intrapulse dynamical effects in multiphoton processes: Theoretical analysis. J. Cao, J. Che, and K. R. Wilson, J. Phys. Chem. A 102(23), 4284-4290 (1998)   https://doi.org/10.1021/jp973097t
  182. Chirped pulse enhancement of multiphoton absorption in molecular iodine. V. V. Yakovlev, C. J. Bardeen, J. Che, J. Cao and K. R. Wilson, J. Chem. Phys. 108(6), 2309-2313 (1998)   https://doi.org/10.1063/1.475615

    183. 1997

  183. Ultrafast x-ray and electron diffraction: Theoretical considerations. M. Ben-Nun, J. Cao, and K. R. Wilson, J. Phys. Chem. A 101(47), 8743-8761 (1997)   https://doi.org/10.1021/jp971764c
  184. Optimal pump-dump control: Linearization and symmetry relation. Y. Yan, J. Cao, and Z. Shen, J. Chem. Phys. 107(9), 3471-3477 (1997)   https://doi.org/10.1063/1.474686
  185. A phase-space study of Bloch-Redfield theory. J. Cao, J. Chem. Phys. 107(8), 3204-3209 (1997)   https://doi.org/10.1063/1.474670
  186. Detecting wave packet motion in pump-probe experiments: Theoretical analysis. J. Cao and K. R. Wilson, J. Chem. Phys. 106(12), 5062-5072 (1997)   https://doi.org/10.1063/1.473552
  187. Quantum control of dissipative systems: Exact solutions. J. Cao, M. Messina, and K. R. Wilson, J. Chem. Phys. 106(12), 5239-5248 (1997)   https://doi.org/10.1063/1.473522
  188. Linear theory for optimal control of molecular wave packets. J. Cao and K. R. Wilson, Phys. Rev. A 55(6), 4477-4482 (1997)   https://doi.org/10.1103/PhysRevA.55.4477
  189. A simple physical picture for quantum control of wave packet localization. J. Cao and K. R. Wilson, J. Chem. Phys. 107(5), 1441-1450 (1997)   https://doi.org/10.1063/1.475151
  190. A unified framework for quantum activated rate processes. II. The nonadiabatic limit. J. Cao and G. A. Voth, J. Chem. Phys. 106(5), 1769-1779 (1997)   https://doi.org/10.1063/1.474123

    191. 1996

  191. A unified framework for quantum activated rate processes. I. General theory. J. Cao and G. A. Voth, J. Chem. Phys. 105(16), 6856-6870 (1996)   https://doi.org/10.1063/1.471980
  192. A theory for the quantum activated rate constant in dissipative systems. J. Cao and G. A. Voth, Chem. Phys. Lett. 261(1-2), 111-116 (1996)   https://doi.org/10.1016/0009-2614(96)00940-2
  193. Semiclassical approximations to quantum dynamical time correlation functions. J. Cao and G. A. Voth, J. Chem. Phys. 104(1), 273-285 (1996)   https://doi.org/10.1063/1.470898
  194. A novel method for simulating quantum dissipative systems. J. Cao, L. W. Ungar, and G. A. Voth, J. Chem. Phys. 104(11), 4189-4197 (1996)   https://doi.org/10.1063/1.471230
  195. Adiabatic path integral molecular dynamics methods. II. Algorithms. J. Cao and G. J. Martyna, J. Chem. Phys. 104(5), 2028-2035 (1996)   https://doi.org/10.1063/1.470959

    196. 1995

  196. On the Feynman path centroid density as a phase space distribution in quantum statistical mechanics. R. Hernandez, J. Cao, and G. A. Voth, J. Chem. Phys. 103(12), 5018-5026 (1995)   https://doi.org/10.1063/1.470588
  197. The computation of electron transfer rates: The nonadiabatic instanton solution. J. Cao, C. Minichino, and G. A. Voth, J. Chem. Phys. 103(4), 1391-1399. (1995)   https://doi.org/10.1063/1.469762
  198. A theory for time correlation functions in liquids. J. Cao and G. A. Voth, J. Chem. Phys. 103(10), 4211-4220 (1995)   https://doi.org/10.1063/1.470660
  199. Modeling physical systems by effective harmonic oscillators: The optimized quadratic approximation. J. Cao and G. A.Voth, J. Chem. Phys. 102(8), 3337-3348 (1995)   https://doi.org/10.1063/1.469207
  200. A scaling and mapping theory for excess electrons in simple fluids. J. Cao and B. J. Berne, J. Chem. Phys. 102(1), 432-436 (1995)   https://doi.org/10.1063/1.469420

    201. 1994

  201. The formulation of quantum statistical mechanics based on the Feynman path centroid density. V. Quantum instantaneous normal mode theory of liquids. J. Cao and G. A. Voth, J. Chem. Phys. 101(7), 6184-6192 (1994)   https://doi.org/10.1063/1.468400
  202. The formulation of quantum statistical mechanics based on the Feynman path centroid density. IV. Algorithms for centroid molecular dynamics. J. Cao and G. A. Voth, J. Chem. Phys. 101(7), 6168-6183. (1994)   https://doi.org/10.1063/1.468399
  203. The formulation of quantum statistical mechanics based on the Feynman path centroid density. III. Phase space formalism and analysis of centroid molecular dynamics. J. Cao and G. A. Voth, J. Chem. Phys. 101(7), 6157-6167 (1994)   https://doi.org/10.1063/1.468503
  204. The formulation of quantum statistical mechanics based on the Feynman path centroid density. II. Dynamical properties. J. Cao and G. A. Voth, J. Chem. Phys. 100(7), 5106-5118 (1994)   https://doi.org/10.1063/1.467176
  205. The formulation of quantum statistical mechanics based on the Feynman path centroid density. I. Equilibrium properties. J. Cao and G. A. Voth, J. Chem. Phys. 100, 5093-5105 (1994)   https://doi.org/10.1063/1.467175
  206. A semiclassical reactive flux method for the calculation of condensed phase activated rate constants. D. E. Sagnella, J. Cao and G. A. Voth, Chem. Phys. 180(2-3), 167-180 (1994)   https://doi.org/10.1016/0301-0104(93)E0419-V
  207. Winding-number effect in path-integral simulations. J. Cao, Phys. Rev. E 49(1), 882-889 (1994)   https://doi.org/10.1103/PhysRevE.49.882

    208. 1993

  208. A new perspective on quantum time correlation functions. J. Cao and G. A. Voth, J. Chem. Phys. 99(12), 10070-10073. (1993)   https://doi.org/10.1063/1.465512
  209. Theory and simulation of polar and nonpolar polarizable fluids. J. Cao and B. J. Berne, J. Chem. Phys. 99(9), 6998-7011 (1993)   https://doi.org/10.1063/1.465446
  210. Theory of polarizable liquid crystals: Optical birefringence. J. Cao and B. J. Berne, J. Chem. Phys. 99(3), 2213-2220 (1993)   https://doi.org/10.1063/1.466200
  211. A Born-Oppenheimer approximation for path integrals with an application to electron solvation in polarizable fluids. J. Cao and B. J. Berne, J. Chem. Phys. 99(4), 2902-2916 (1993)   https://doi.org/10.1063/1.465198

    212. 1992

  212. Many-body dispersion forces of polarizable clusters and liquids. J. Cao and B. J. Berne, J. Chem. Phys. 97(11), 8628-8636 (1992)   https://doi.org/10.1063/1.463381
  213. A new quantum propagator for hard sphere and cavity systems. J. Cao and B. J. Berne, J. Chem. Phys. 97(4), 2382-2385 (1992)   https://doi.org/10.1063/1.463076

    214. 1990

  214. Low-temperature variational approximation for the Feynman quantum propagator and its application to the simulation of quantum systems. J. Cao and B. J. Berne, J. Chem. Phys. 92(12), 7531-7539 (1990)   https://doi.org/10.1063/1.458189
  215. Monte Carlo methods for accelerating barrier crossing: Anti-force-bias and variable step algorithms. J. Cao and B. J. Berne, J. Chem. Phys. 92(3), 1980-1985 (1990)   https://doi.org/10.1063/1.458029
  216. Linear theory of superradiance in a free-electron laser. S. Cai, J. Cao and A. Bhattacharjee, Phys. Rev. A 42(7), 4120-4126 (1990)   https://doi.org/10.1103/PhysRevA.42.4120

    217. 1989

  217. On energy estimators in path integral Monte Carlo simulations: Dependence of accuracy on algorithm. J. Cao and B. J. Berne, J. Chem. Phys. 91(10), 6359-6366. (1989)   https://doi.org/10.1063/1.457403
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