- 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, 084103 (2015)
- 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)
- 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)
- Forster 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, 094108 (2015)
- Forster 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, 094107 (2015)
- Forster 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, 094106 (2015)
- 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, 18003 (2014)
- 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, 2868 (2014)
- Spectrins in axonal cytoskeletons: Dynamics revealed by extensions and fluctuations. L. Lai and J. Cao, J. Chem. Phys., 141, 015101 (2014)
- 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 (2014)
- 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, 2642 (2014)
- 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, 7827 (2014)
- Optimal tunneling enhances the quantum photovoltaic effect in double quantum dots. C. Wang, J. Ren, and J. Cao, New J. Phys., 16, 045019 (2014)
- 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 (2014)
- Non-Markovian Dynamical Maps: Numerical Processing of Open Quantum Trajectories. J. Cerrillo and J. Cao, Phys. Rev. Lett., 112, 110401 (2014)
- Shape transition of unstrained flattest single-walled carbon nanotubes under pressure. W. Mu, J. Cao, and Z. Ou-Yang, J. Appl. Phys., 115, 044512 (2014)
- 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 (2013)
- 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, 134106 (2013)
- 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, p13378 (2013)
- 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 (2013)
- 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, p503 (2013)
- 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, p8537 (2013)
- 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, 200402 (2013)
- Probing the cytoadherence of malaria infected red blood cells under flow. X. Xu, A. K. Efremov, A. Li, M. Dao, C. T. Lim, and J. Cao, PLOS ONE, 8, e64763 (2013)
- 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, 224104 (2013)
- Higher-order kinetic expansion of quantum dissipative dynamics,: Mapping quantum networks to kinetic networks. J. Wu and J. Cao, J. Chem. Phys., 139, 044102 (2013)
- 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. TheoryComput., 8, p1415 (2012)
- 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, 115412 (2012)
- 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, 204120 (2012)
- 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 (2012) - 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, 245104 (2012)
- 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, 021109 (2012)
- 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 (2012)
- Michaelis-Menten Equation and Detailed Balance in Enzymatic Networks. J. Cao, J. Phys. Chem. B, 115, p5493 (2011)
- Quantitative Interpretation of the Randomness in Single Enzyme Turnover Times. S. Yang, J. Cao, R. J. Silbey, and J. Sung, Biophys. J., 101, p519 (2011)
- Bistability of Cell Adhesion in Shear Flow. A. Efremov and J. Cao, Biophys. J., 101, p1032 (2011)
- 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, p3045 (2011)
- Stochastic resonance of quantum discord. C. K. Lee, L. C. Kwek, and J. Cao, Phys. Rev. A, 84, 062113 (2011)
- Generalized Michaelis-Menten Equation for Conformation-Modulated Monomeric Enzymes. J. Wu and J. Cao, Adv. Chem. Phys., 146, p329 (2011)
- 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, p6549 (2010)
- Noise-induced dynamic symmetry breaking and stochastic transitions in ABA molecules: II. Symmetric-antisymmetric normal mode switching. M. Kryvohuz and J. Cao, Chemical Physics, 370, p258 (2010) [feature article]
- Optimal Efficiency of Self-Assembling Light-Harvesting Arrays. J. Kim and J. Cao, J. Phys. Chem. B, 114, p16189 (2010)
- 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 (2010)
- The influence of dissipation on the quantum-classical correspondence: Stability of stochastic trajectories. M. Kryvohuz and J. Cao, JCP 130, 234107 (2009)
- Optimization of Exciton Trapping in Energy Transfer Processes. J. Cao and R. J. Silbey, JPC A, 113, p13825 (2009) [feature article]
- Width of Phonon Sidebands in the Brownian Oscillator Model. J. Ye, Y. Zhao, N. Ng, and J. Cao, JPC B, 113, p5897 (2009)
- Analysis of the Entire Sequence of a Single Photon Experiment on a Flavin Protein. J. Witkoskie and J. Cao, JPC B, 112, p5988 (2008)
- Generic Schemes for Single-Molecule Kinetics. 1: Self-Consistent Pathway Solutions for Renewal Processes. J. Cao and R. J. Silbey, JPC B, 112, p12876 (2008)
- 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) - Suppression of Photon-Echo As a Signature of Chaos. M. Kryvohuz, J. Cao and S. Mukamel, J. Phys. Chem. B, 112, p15999 (2008)
- 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, p9627 (2007)
- On the thermodynamics of the liquid-solid transition in a small cluster. A. Zhukov, A.Kraynyukova and J. Cao, Phys. Lett. A, 364, p329 (2007)
- 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. Review B, 75, 045311 (2007)
- Classical Divergence of Nonlinear Response functions. M. Kryvohuz and J. Cao, Phys. Review Lett., 96, 030403 (2006)
- Description of the fluorescence insensity 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. Review E, 73, 011106 (2006)
- Ground-state shapes and structures of colloidal domains. J. Wu and J. Cao, Physica A, 371, p249 (2006)
- Kinetic theory of non-hamiltonian statistical ensembles. A. V. Zhukov and J. Cao,Condensed Matter Physics, 9, p637 (2006)
- Testing for Renewal and Detailed Balance Violations in Single-Molecule Blinking Processes. J. Witkoskie and J. Cao, J. Phys. Chem. B, 110, p19009 (2006)
- Correlations in Single Molecule Photon Statistics: Renewal Indicator. J. Cao, J. Phys. Chem. B, 110, p19040 (2006)
- Aging correlation functions of the interrupted fractional Fokker-Planck propagator. J. Witkoskie and J. Cao, J. Chem. Phys., 125, 244511 (2006)
- Quantum recurrence from a semiclassical resummation. M. Kryvohuz and J. Cao, Chem. Phys., 322, p41 (2006)
- Stability Analysis of Three-Dimensional Colloidal Domains: Quadratic Fluctuations. J. Wu and J. Cao, J. Phys. Chem. B, 109, p21342 (2005)
- Quantum-Classical Correspondence in Response Theory. M. Kryvohuz and J. Cao, Phys. Rev. Lett., 95, 180405 (2005)
- High-Order Mode-Coupling Theory for the Colloidal Glass Transition. J. Wu and J. Cao, Phys. Rev. Lett., 95, 078301 (2005)
- Stationary phase calculations of quantum rate constants. S. Yang and J. Cao, J. Chem. Phys., 122, 094108 (2005)
- 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, p139 (2005)
- Nondivergent classical response functions from uncertainty principle: Quasiperiodic systems. M. Kryvohuz and J. Cao, J. Chem. Phys., 122, 024109 (2005)
- Low-Temperature Thermal Transport in Nanowires. A. Zhukov, S.Yang, and J. Cao, JETP Lett., 81, p228 (2005)
- 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 (2004)
- A semiclassical study of wave packet dynamics in anharmonic potentials. S. Yang, J. Cao, and R. W. Field, J. Chem. Phys., 121, p6599 (2004)
- Nonperturbative vibrational energy relaxation effects on vibrational line-shapes. S. Yang, J. Shao, and J. Cao, J. Chem. Phys., 121, p11250 (2004)
- 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, p572 (2004)
- 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, p562 (2004)
- Single molecule kinetics. II. Numerical Bayesian approach. J. Witkoskie and J. Cao, J. Chem. Phys., 121, p6373 (2004)
- Single molecule kinetics. I. Theoretical analysis of indicators. J. Witkoskie and J. Cao, J. Chem. Phys., 121, p6361 (2004)
- 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, p11316 (2004)
- 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, p198 (2004)
- Scaling and universality of inherent structure simulations. J. Witkoskie and J. Cao, Phys. Rev. E, 69, 061108 (2004)
- East Model: Basis Set Expansion, Mode Coupling, and Irreducible Memory Kernels. J. Wu and J. Cao, J. Phys. Chem. B, 108, p6796 (2004)
- Basis set study of classical rotor lattice dynamics. J. Witkoskie, J. Wu, and J. Cao, J. Chem. Phys., 120, p5695 (2004)
- First-principle path integral study of DNA under hydrodynamic flows. S. Yang, J. Witkoskie and J. Cao, Chem. Phys. Lett., 377, p399 (2003)
- Gaussian factorization of hydrodynamic correlation functions and mode-coupling memory kernels. J. Wu and J. Cao, Phys. Rev. E, 67, 061116 (2003)
- Brownian motion in dynamically disordered media. J. Witkoskie, S. Yang, and J. Cao, Phys. Rev. E, 66, 051111 (2002)
- Single-molecule dynamics of semiflexible Gaussian chains. S. Yang, J. Witkoskie, and J. Cao, J. Chem. Phys., 117, p11010 (2002)
- Direct measurements of memory effects in single-molecule kinetics. S. Yang and J. Cao, J. Chem. Phys., 117, p10996 (2002)
- 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, p8313 (2002)
- 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, 053415 (2002)
- Fourth-order quantum master equation and its Markovian bath limit. S. Jang, J. Cao, and R. Silbey, J. Chem. Phys., 116, p2705 (2002)
- Spectral analysis of electron transfer kinetics. II. Y. Jung and J. Cao, J. Chem. Phys., 117, p3822 (2002)
- Calculations of nonlinear spectra of liquid Xe. I. Third-order Raman response. J. Cao, J. Wu and S. Yang, J. Chem. Phys., 116, p3739 (2002)
- Calculations of nonlinear spectra of liquid Xe. II. Fifth-order Raman response. J. Cao, J. Wu, and S. Yang, J. Chem. Phys., 116, p3760 (2002)
- 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) - 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, p9959 (2001)
- Two-Event Echos in Single-Molecule Kinetics: A Signature of Conformational Fluctuations. S. Yang and J. Cao, J. Phys. Chem. B, 105, p6536 (2001)
- Linear and nonlinear response functions of the Morse oscillator: Classical divergence and the uncertainty principle. J. Wu and J. Cao, J. Chem. Phys., 115, p5381 (2001))
- Single molecule waiting time distribution functions in quantum processes. J. Cao, J. Chem. Phys., 114, p5137 (2001)
- Single molecule tracking of heterogeneous diffusion. J. Cao, Phys. Rev. E, 63, 041101 (2001)
- Event-averaged measurements of single-molecule kinetics. J. Cao, Chem. Phys. Lett., 327, p38 (2000)
- Quantum coherence in nonlinear optical processes: theory and possible application to control of chemical reaction and quantum computation . J. Cao, J. Lumin., 87, 30 (2000)
- Molecular Π pulses: Population inversion with positively chirped short pulses. J. Cao, C. J. Bardeen, and K. R. Wilson, J. Chem. Phys. 113, 1898 (2000)
- Spectral analysis of electron transfer kinetics. I. Symmetric reactions. J. Cao and Y. Jung, J. Chem. Phys., 112, p4716 (2000)
- Effects of bath relaxation on dissipative two-state dynamics. J. Cao, J. Chem. Phys., 112, p6719 (2000)
- Electronic Coherence in Mixed-Valence Systems: Spectral Analysis . Y. Jung, R. Silbey, and J. Cao, J. Phys. Chem. A, 103, p9460 (1999)
- Steepest Descent Path Study of Electron-Transfer Reactions. J. Cao, J. Phys. Chem. A, 103, p10571 (1999)
- An adiabatic picture for electron transfer in mixed-valence systems. J. Cao, Chem. Phys. Lett., 312, p606 (1999)
- 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, p405 (1999)
- Ultrafast extended x-ray absorption fine structure (EXAFS)-theoretical considerations. F. L. H. Brown, K. R. Wilson, and J. Cao, J. Chem. Phys., 111, p6238 (1999)
- 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) - Molecular "Π Pulse" for Total Inversion of Electronic State Population . J. Cao, C. J. Bardeen, K. R. Wilson, Phys. Rev. Lett., 80, p1406 (1998)
- Ultrafast x-ray diffraction theory: time-scale considerations. J. Cao and K. R. Wilson, Proceedings of SPIE, 3273, p219 (1998)
- Ultrafast X-ray Diffraction Theory . J. Cao and K. R. Wilson, J. Phys. Chem. A, 102, p9523 (1998)
- Intrapulse Dynamical Effects in Multiphoton Processes: Theoretical Analysis . J. Cao, J. Che, and K. R. Wilson, J. Phys. Chem. A, 102, p4284 (1998)
- 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, p2309 (1998)
- Ultrafast X-ray and Electron Diffraction: Theoretical Considerations. M. Ben-Nun, J. Cao, and K. R. Wilson, J. Phys. Chem. A, 101, p8743 (1997)
- Optimal pump-dump control: Linearization and symmetry relation. Y. Yan, J. Cao, and Z. Shen, J. Chem. Phys., 107, p3471 (1997)
- A phase-space study of Bloch-Redfield theory. J. Cao, J. Chem. Phys., 107, p3204 (1997)
- Detecting wave packet motion in pump-probe experiments: Theoretical analysis. J. Cao and K. R. Wilson, J. Chem. Phys. 106, p5062 (1997)
- Quantum control of dissipative systems: Exact solutions. J. Cao, M. Messina, and K. R. Wilson, J. Chem. Phys., 106, p5239 (1997)
- Linear theory for optimal control of molecular wave packets. J. Cao and K. R. Wilson, Phys. Rev. A, 55, p4477 (1997)
- A simple physical picture for quantum control of wave packet localization. J. Cao and K. R. Wilson, J. Chem. Phys., 107, p1441 (1997)
- A unified framework for quantum activated rate processes. II. The nonadiabatic limit. J. Cao and G. A. Voth, J. Chem. Phys., 106, p1769 (1997)
- A unified framework for quantum activated rate processes. I. General theory. J. Cao and G. A. Voth, J. Chem. Phys., 105, p6856 (1996)
- A theory for the quantum activated rate constant in dissipative systems. J. Cao and G. A. Voth, Chem. Phys. Lett., 261, p111 (1996)
- Semiclassical approximations to quantum dynamical time correlation functions. J. Cao and G. A. Voth, J. Chem. Phys., 104, p273 (1996)
- A novel method for simulating quantum dissipative systems. J. Cao, L. W. Ungar, and G. A. Voth, J. Chem. Phys., 104, p4189 (1996)
- Adiabatic path integral molecular dynamics methods. II. Algorithms. J. Cao and G. J. Martyna, J. Chem. Phys., 104, p2028 (1996)
- 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, p5018 (1995)
- The computation of electron transfer rates: The nonadiabatic instanton solution. J. Cao, C. Minichino, and G. A. Voth, J. Chem. Phys., 103, p1391 (1995)
- A theory for time correlation functions in liquids. J. Cao and G. A. Voth, J. Chem. Phys., 103, p4211 (1995)
- Modeling physical systems by effective harmonic oscillators: The optimized quadratic approximation. J. Cao and G. A.Voth, J. Chem. Phys., 102, p3337 (1995)
- A scaling and mapping theory for excess electrons in simple fluids. J. Cao and B. J. Berne, J. Chem. Phys., 102, p432 (1995)
- 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, p5093 (1994)
- 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, p5106 (1994)
- 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, p6157 (1994)
- 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, p6168 (1994)
- 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, p6184 (1994)
- 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, p167 (1994)
- Winding-number effect in path-integral simulations. J. Cao, Phys. Rev. E, 49, p882 (1994)
- A new perspective on quantum time correlation functions. J. Cao and G. A. Voth, J. Chem. Phys., 99, p10070 (1993)
- Theory and simulation of polar and nonpolar polarizable fluids. J. Cao and B. J. Berne, J. Chem. Phys., 99, p6998 (1993)
- Theory of polarizable liquid crystals: Optical birefringence. J. Cao and B. J. Berne, J. Chem. Phys., 99, p2213 (1993)
- 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, p2902 (1993)
- Many-body dispersion forces of polarizable clusters and liquids. J. Cao and B. J. Berne, J. Chem. Phys., 97, p8628 (1992)
- A new quantum propagator for hard sphere and cavity systems. J. Cao and B. J. Berne, J. Chem. Phys., 97, p2382 (1992)
- 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, p7531 (1990)
- Monte Carlo methods for accelerating barrier crossing: Anti-force-bias and variable step algorithms. J. Cao and B. J. Berne, J. Chem. Phys., 92, p1980 (1990)
- Linear theory of superradiance in a free-electron laser. S. Cai, J. Cao and A. Bhattacharjee, Phys. Rev. A, 42, p4120 (1990)
- On energy estimators in path integral Monte Carlo simulations: Dependence of accuracy on algorithm. J. Cao and B. J. Berne, J. Chem. Phys., 91, p6359 (1989)