Berne Publication List

  1. B. J. Berne and S. A. Rice, On the Kinetic Theory of Dense Fluids, XV: Some Comments on the Rice Allnatt Theory, J. Chem. Phys. 40, 1336 (1964).

  2. B. J. Berne and S. A. Rice, On the Kinetic Theory of Dense Fluids, XVI: The Ideal Ionic Melt, J. Chem. Phys. 40, 1347 (1964).

  3. B. J. Berne and P. Gray, The Role of Hard Core Collisions in the Kinetic Theory of Dense Fluids, J. Chem. Phys. 40, 1582 (1964).

  4. H. L. Frisch and B. J. Berne, The High Temperature Expansion of Thermal Transport Coefficients, J. Chem. Phys. 43, 250 (1965).

  5. B. J. Berne, J. P. Boon, and S. A. Rice, On the Calculation of Autocorrelation Functions of Dynamical Variables, J. Chem. Phys. 45, 1086-1096 (1966).

  6. B. J. Berne, J. Jortner, and R. Gordon, Vibrational Relaxation of Diatomic Molecules in Gases and Liquids, J. Chem. Phys. 47, 1600 (1967).

  7. Bruce J. Berne and H. L. Frisch, Nondissipative Absorption of Energy in the High-Frequency Linear Response of Liquids, Phys. Rev. 160, 202 (1967).

  8. B. J. Berne and H. L. Frisch, Light Scattering as a Probe of Fast Reaction Kinetics, J. Chem. Phys. 47, 3675 (1967).

  9. B. J. Berne and H. L. Frisch, The High Frequency Linear Response of Classical Fluids to Brownian Oscillators, J. Chem. Phys. 47, 2477 (1967).

  10. B. J. Berne, J. P. Boon and S. A. Rice, Reformulation of the Representation of Transport Coefficients Using the Autocorrelation-Function Formalism and the Linear Trajectory Approximation, J. Chem. Phys. 47, 2283 (1967)

  11. G. D. Harp, J. M. Miller, and Bruce J. Berne, Attainment of Statistical Equilibrium in Excited Nuclei, Phys. Rev. 165, 1166 (1968).

  12. Bruce J. Berne, Roy G. Gordon, and V. F. Sears, Mechanisms of Vibrational Relaxation, J. Chem. Phys. 49, 475 (1968).

  13. G. D. Harp and Bruce J. Berne , Linear- and Angular-Momentum Autocorrelation Functions in Diatomic Liquids, J. Chem. Phys. 49, 1249 (1968).

  14. B. J. Berne, P. Pechukas, and G. D. Harp, Molecular Reorientation in Liquids and Gases, J. Chem. Phys. 49, 3125 (1968).

  15. Bruce J. Berne, J. M. Deutch, James T. Hynes, and H. L. Frisch, Light Scattering from Chemically Reacting Mixtures, J. Chem. Phys. 49, 2864 (1968).

  16. Bruce J. Berne and R. Pecora, Light Scattering as a Probe of Fast-Reaction Kinetics: The Depolarized Spectrum of Rayleigh Scattered Light from a Chemically Reacting Medium, J. Chem. Phys. 50, 783 (1969).

  17. B. J. Berne and R. Pecora, Dispersion of the Electrically Induced Refractive-Index Anisotropy in Nonpolar Liquids as a Probe of Reaction Kinetics, J. Chem. Phys. 52, 1259 (1970).

  18. B. J. Berne and G. D. Harp, On the Calculation of Time Correlation Functions, Adv. in Chem. Phys. XVII 63, (1970).

  19. N. Aliwadi, D. Forester, and B. J. Berne, Comments on the Coupling between Linear and Angular Momentum of Structured Molecules, J. Chem. Phys. 52, 5193 (1970).

  20. G. D. Harp and B. J. Berne, Time-Correlation Functions, Memory Functions and Molecular Dynamics, Phys. Rev. A 2, 975-996 (1970).

  21. B. J. Berne, Time Correlation Functions in Condensed Media , in Physical Chemistry, Vol. VIIIB, Eds. H. Eyring, D. Henderson and W. Jost, Academic Press (New York: 1971).

  22. Narinder K. Ailawadi, Bruce J. Berne and Dieter Forster, Light Scattering form Shear Waves: The Role of Angular Momentum Fluctuations in Light Scattering, Phys. Rev. A, 3, 1472 (1971).

  23. Narinder K. Ailawadi, Bruce J. Berne and Dieter Forster, Hydrodynamics and Collective Angular-Momentum Fluctuations in Molecular Fluids, Phys. Rev. A, 3, 1462 (1971).

  24. Narinder K. Ailawadi and Bruce J. Berne, Cooperative Phenomena and the Decay of the Angular Momentum Correlation Function at Long Times, J. Chem. Phys. 54, 3569 (1971).

  25. M. Bishop and B. J. Berne, On the Onset of Brownian Motion in One Dimension: A Computer Study, Proceedings of the I.U.P.A.P. Meeting on Statistical Mechanics, Chicago, (1971).

  26. N. K. Ailawadi an B. J. Berne, Cooperative Phenomena and the Asymptotic Time Behavior of the Correlation Functions, Proceedings of the I. U. P. A. P. Meeting on Statistical Mechanics, Chicago, (1971).

  27. B. J. Berne and D. Forster, Topics in Time Dependent Statistical Mechanics, Ann. Rev. of Phys. Chem. 22, 563 (1971).

  28. N. K. Ailawadi and B. J. Berne, Theories of Depolarized Light Scattering, Journal de Physique C1 - 221 (1972).

  29. Marvin Bishop and Bruce J. Berne, Onset of Brownian Motion in a One-Dimensional Fluid, J. Chem. Phys. 56, 2850 (1972).

  30. Bruce J. Berne, Hydrodynamic Theory of the Angular Velocity Autocorrelation Function, J. Chem. Phys. 56, 2164 (1972).

  31. Bruce J. Berne and Philip Pechukas, Gaussian Model Potentials for Molecular Interactions, J. Chem. Phys. 56, 4213 (1972).

  32. Dale W. Schaefer and Bruce J. Berne, Light Scattering from Non-Gaussian Concentration Fluctuations, Phys. Rev. Letts. 28, 475 (1972).

  33. B. J. Berne, P. Fleming and M. Bishop, Collective Properties of Polyatomic Gases in a Magnetic Field, J. Stat. Phys. 7, 311 (1973).

  34. Bruce J. Berne, Marvin Bishop and A. Rahman, Depolarized light scattering from monatomic fluids, J. Chem. Phys. 58, 2696 (1973).

  35. B. J. Berne and R. Gininger, Electrophoretic Light Scattering as a Probe of Reaction Kinetics, Biopolymers 12, 1161 (1973).

  36. Joseph Kushick and Bruce J. Berne, Methods for experimentally determining the angular velocity relaxation in liquids, J. Chem. Phys. 59, 4486 (1973).

  37. Joseph Kushick and Bruce J. Berne, Role of attractive forces in self-diffusion in dense Lennard-Jones fluids, J. Chem. Phys. 59, 3732 (1973).

  38. Marvin Bishop and Bruce J. Berne, Computer study of the collective modes of a one dimensional disordered chain, J. Chem. Phys. 59, 5337 (1973).

  39. B. J. Berne, Chemical and Biological Applications of Laser Light Scattering, Accts. Chem. Res. 6, 318 (1973).

  40. Nitzan, J. Jortner and B. J. Berne, Interference Effects in Sequential Decay, Mol. Phys. 26, 281 (1973).

  41. Marvin Bishop and Bruce J. Berne, Molecular dynamics of one-dimensional hard rods, J. Chem. Phys. 60, 893 (1974).

  42. B. J. Berne and R. Nossal, Inelastic Light Scattering by Large Structured Particles, Biophys. J. 14, 865 (1974).

  43. Dale W. Schaefer and Bruce J. Berne, Dynamics of Charged Macromolecules in Solutions, Phys. Rev. Letts. 32, 1110 (1974).

  44. B. J. Berne and R. Pecora, Laser Light Scattering from Liquids, Ann. Rev. of Phys. Chem. 25, 233 (1974).

  45. B. J. Berne, Interpretation of the Light Scattering by Very Long Rods, J. Mol. Bio. 89, 755 (1974).

  46. B. J. Berne, A Self-Consistent Theory of Rotational Diffusion, J. Chem. Phys. 62, 1154 (1975).

  47. Dale W. Schaefer and B. J. Berne, Number Fluctuation Spectroscopy of Motile Microorganisms, Biophys. J. 15, 785 (1975).

  48. J. O'Dell and Bruce J. Berne, Molecular dynamics of the rough sphere fluid. I. Rotational relaxation, J. Chem. Phys. 63, 2376 (1975).

  49. L. Friedhoff and B. J. Berne, Irreversible Thermodynamic Analysis of Electrophoretic Light Scattering Experiments, Biopolymers 15, 21 (1976).

  50. J. Kushick and Bruce J. Berne, Computer Simulation of Anisotropic Molecular Fluids, J. Chem. Phys. 64, 1362 (1976).

  51. T. B. MacRury, W.A. Steele and Bruce J. Berne, Intermolecular Potential Models for Anisotropic Molecules, with applications to N2, CO2, and benzene, J. Chem. Phys. 64, 1288 (1976).

  52. B. J. Berne, Rotational Relaxation of Rough Sphere Fluids, Molecular Spectroscopy of Dense Phases, Ed. M. Grossman et al., Elsevier (Amsterdam: 1976).

  53. B. J. Berne and J. Montgomery, The Coupling Between Translational and Rotational Motions, Mol. Phys. 32, 363 (1976).

  54. B. J. Berne, Dynamics of Charged Macromolecules in Solution, in Photon Correlation Spectroscopy and Velocimetry, Ed. H. Z. Cummins and E. R. Pike, Plenum Press (New York: 1976), 344. Published in cooperation with Scientific Affairs Division.

  55. B.J. Berne and R. Pecora, Dynamic Light Scattering, John Wiley & Sons, New York, NY (1976).

  56. John Montgomery, Jr. and Bruce J. Berne, A viscoelastic theory of the angular velocity correlation function, J. Chem. Phys. 66, 2161 (1977).

  57. J. Kushick and B. J. Berne, Molecular Dynamics Methods: Continuous Potentials, in Modern Theoretical Chemistry: Statistical Mechanics of Time Dependent Processes, ed. B. J. Berne, 41-61, Plenum, New York, (1977).

  58. B. J. Berne, Projection Operator Techniques in Modern Theoretical Chemistry: Statistical Mechanics of Time Dependent Processes, ed. B. J. Berne, 233-257, Plenum, New York, (1977).

  59. B. J. Berne, Rotational Relaxation, Molecular Hydrodynamics and Long Time Tails, Faraday Symp. Chem. Soc. (Newer Aspects of Molecular Relaxation Processes), 11, 48 (1977).

  60. Bruce J. Berne, Molecular dynamics of the rough sphere fluid. II. Kinetic models of partially sticky spheres, structured spheres, and rough screwballs, J. Chem. Phys. 66, 2821 (1977).

  61. J. S. Gethner, G. W. Flynn, B. J. Berne and F. Gaskin, the Equilibrium Components of Tubulin Preparations, Biochemistry 16, 5781 (1977).

  62. J. S. Gethner, G. W. Flynn, B. J. Berne and F. Gaskin, The Characterization of Heterogeneous Solutions Using Laser Light Scattering, Biochemistry 16, 5776 (1977).

  63. John A. Montgomery, Jr., and Bruce J. Berne, A hydrodynamic theory of the angular velocity correlation with arbitrary slip boundary conditions, J. Chem. Phys. 66, 2770 (1977).

  64. John A. Montgomery, Jr. and Bruce J. Berne, Molecular hydrodynamics of the partially rough sphere fluid, J. Chem. Phys. 67, 4580 (1977).

  65. John A. Montgomery, Jr. and Bruce J. Berne, The effects of hydrodynamic interactions on translational and rotational relaxation, J. Chem. Phys. 67, 4589 (1977).

  66. J. A. Montgomery, Jr., B.J. Berne, P.G. Wolynes and J.M. Deutch, On the effects of translation-rotation coupling on hydrodynamic diffusion tensors, J. Chem. Phys. 67 , 5971 (1977).

  67. Charanjit S. Pangali and Bruce J. Berne, Molecular dynamics of the rough sphere fluid. III. The dependence of translational and rotational motion on particle roughness, J. Chem. Phys. 67, 4571 (1977).

  68. B. J. Berne, Ed., Statistical Mechanics, Part A: Equilibrium Techniques, Plenum Press, New York, (1977).

  69. B .J. Berne, Ed., Statistical Mechanics, Part B: Time Dependent Processes, Plenum Press, New York, (1977).

  70. M. Rao, B. J. Berne and M. H. Kalos, Computer simulation of the nucleation and thermodynamics of microclusters, J. Chem. Phys. 68, 1325 (1978).

  71. B. Siano, B. J. Berne and G. W. Flynn, A Procedure for Determining Particle Dynamics from Time Dependent Multiple Scattering with Application to Ordered and Disordered Polystyrene Solutions, J. Coll. and Intf. Sci. 63, 282 (1978).

  72. C. S. Pangali, M. Rao, and B. J. Berne,Monte Carlo Simulations of Water, in Computer Modeling of Matter, Ed. Peter Lykos, American Chemical Society 32, ACS Symposium Series 86, Washington, D.C., (1978).

  73. C. S. Pangali, M. Rao, and B. J. Berne, Mean Force of Tow Noble Gas Atoms Dissolved in Water, in Computer Modeling of Matter, Ed. Peter Lykos, American Chemical Society 29, ACS Symposium Series 86, Washington D.C., (1978).

  74. M. Rao and B. J. Berne, Structure of a Liquid-Vapor Interface, in Computer Modeling of Matter, Ed. Peter Lykos, American Chemical Society 72, ACS Symposium Series 86, Washington, D.C. (1978).

  75. C. S. Pangali , M. Rao and B. J. Berne, On a Novel Monte Carlo Scheme for Simulating Water and Aqueous Solutions, Chem. Phys. Letts. 55, 413 (1978).

  76. M. Rao and B. J. Berne, On the Location of Surface of Tension, Mol. Phys. 37, 455 (1978).

  77. D. W. Rebertus, Bruce J. Berne, and David Chandler, A molecular dynamics and Monte Carlo study of solvent effects on the conformational equilibrium of n-butane in CCI4, J. Chem. Phys. 70, 3395 (1979).

  78. M. Rao, C. Pangali and B. J. Berne, On the Force-Bias Monte Carlo Simulation of Water: Methodology and Optimizaton and Comparison with Molecular Dynamics, Mol. Phys. 37, 1773 (1979).

  79. John A. Montgomery, Jr., David Chandler, and Bruce J. Berne, Trajectory analysis of a kinetic theory for isomerization dynamics in condensed phases, J. Chem. Phys. 70, 4056 (1979).

  80. M. Rao and B. J. Berne, On the Force Bias Monte Carlo Simulation of Simple Liquids, J. Chem. Phys. 71, 129 (1979).

  81. C. Pangali, M. Rao and B. J. Berne, Hydrophobic Hydration around a Pair of Apolar Species in Water, J. Chem. Phys. 71, 2982-2990, (1979).

  82. C. Pangali, M. Rao and B.J. Berne, A Monte Carlo simulation of the hydrophobic interaction, J. Chem. Phys. 71, 2975 (1979).

  83. M. Rao, B. J. Berne, J. K. Percus, and M. H. Kalos, Structure of a liquid-vapor interface in the presence of a hard wall in the transition region, J. Chem. Phys. 71, 3802 (1979).

  84. M. L. Klein, I. R. McDonald, B. J. Berne, M. Rao, D. L. Beveridge, P. K. Mehrotra, Radial correlations in associated liquids, J. Chem. Phys. 71, 3889 (1979).

  85. M. Rao, B. J. Berne, Nucleation in Finite Systems: Theory and Computer Simulation, Astrophys. and Space Sci. 65, 39 (1979).

  86. David Chandler, B. J. Berne, Comment on the role of constraints on the conformational structure of n-butane in liquid solvents, J. Chem. Phys. 71, 5386 (1979).

  87. M. Rao, C. Pangali and B. J. Berne, A Monte Carlo Study of Structural and Thermodynamic Properties of Water: Dependence on the System Size and on the Boundary Conditions, Mol. Phys. 40, 661 (1980).

  88. Lawrence R. Pratt, Robert O. Rosenberg, Bruce J. Berne, David Chandler, Comment on the structure of simple liquid solvent near an n-butane solute molecule, J. Chem. Phys. 73, 1002 (1980).

  89. B. J. Berne, James L. Skinner, and Peter G. Wolynes, Impulsive stochastic models of molecular relaxation and isomerization reactions, J. Chem. Phys. 73, 4314 (1980).

  90. R. O. Rosenberg, B. J. Berne and D. Chandler, Isomerization Dynamics in Liquids by Molecular Dynamics, Chem. Phys. Lett. 75, 162-8 (1980).

  91. J. G. Gay and B.J. Berne, Modification of the overlap potential to mimic a linear site-site potential, J. Chem. Phys. 74, 3316 (1981).

  92. M. Rao and B. J. Berne, Molecular Dynamic Simulation of the Structure of Water in the Vicinity of a Solvated Ion, J. Phys. Chem. 85, 1498-1505 (1981).

  93. M. F. Herman and B. J. Berne, A Monte Carlo Procedure for the Study of Solvent Effects on Quantum Molecular Degrees of Freedom, Chem. Phys. Letts. 77, 163 (1981).

  94. Nelson De Leon and B. J. Berne, Intramolecular rate process: Isomerization dynamics and the transition to chaos, J. Chem. Phys. 75, 3495 (1981).

  95. Nelson De Leon and B. J. Berne, Comment on "A statistical theory of rate constants in nonergodic systems", J. Chem. Phys. 76, 5187 (1982).

  96. M. F. Herman, E. J. Bruskin, and B. J. Berne, On path integral Monte Carlo simulations, J. Chem. Phys. 76, 5150 (1982).

  97. Nelson De Leon and Bruce J. Berne, On determining conditions for RRKM behavior in conservative dynamical systems, J. Chem. Phys. 77, 283 (1982).

  98. Bruce J. Berne, Nelson De Leon and R. O. Rosenberg, Isomerization Dynamics and the Transition to Chaos, J. Phys. Chem. 86, 2166-2177 (1982).

  99. R. V. Mikkilineni and B. J. Berne, Computer Experiments on Heterogeneous Systems, Topics in Current Physics 29, 99 (1982).

  100. J. G. Gay and B. J. Berne, Computer Simulation of Coulomb Explosions in Doubly Charged Xe Microclusters, Phys. Rev. Letts. 49, 194 (1982).

  101. R. O. Rosenberg, R. Mikkilineni, and B. J. Berne, The Hydrophobic Effect on Chain Folding: The Trans to Gauche Isomerization of n-Butane in Water, J. Am. Chem. Soc. 104, 7647 (1982).

  102. N. De Leon and B. J. Berne, Reaction Dynamics in an Ergodic System: The Siamese Stadium Billiard, Chem. Phys. Letts. 93, 162 (1982).

  103. N. De Leon and B. J. Berne, Reaction Dynamics in a Non-Ergodic System: The Siamese Stadium Billiard, Chem. Phys. Letts. 93, 169 (1982).

  104. Michael F. Herman and Bruce J. Berne, Monte Carlo simulation of solvent effects on vibrational and electronic spectra, J. Chem. Phys. 78, 4103 (1983).

  105. D. Thirumalai and B. J. Berne, On the calculation of time correlation functions in quantum systems: Path integral techniques, J. Chem. Phys. 79, 5029 (1983).

  106. Devarajan Thirumalai, Eric J. Bruskin, and Bruce J. Berne, An iterative scheme for the evaluation of discretized path integrals, J. Chem. Phys. 79, 5063-5069 (1983).

  107. B. J. Berne, Reaction Rate for Isomerization in a Molecular Beam, Chem. Phys. Letts. 107, 131 (1984).

  108. D. Thirumalai and B. J. Berne, Time correlation functions in quantum systems, J. Chem. Phys. 81, 2512 (1984).

  109. D. Thirumalai, Randall W. Hall, and B. J. Berne, A path integral Monte Carlo study of liquid neon and the quantum effective pair potential, J. Chem. Phys. 81, 2523 (1984).

  110. Randall W. Hall and Bruce J. Berne, Nonergodicity in path integral molecular dynamics, J. Chem. Phys. 81, 3641 (1984).

  111. John Bartholomew and B. J. Berne, Fluctuations in lattice Monte Carlo simulations, Phys. Rev. D 30, 1791 (1984).

  112. G. Amar and B. J. Berne, Reaction Dynamics and the Cage Effect in Microclusters of Br2Arn, J. Phys. Chem. 88, 6720-6727 (1984).

  113. Michal Borkovec and Bruce J. Berne, Reaction dynamics in the low pressure regime: The Kramers model and collisional models of molecules with many degrees of freedom, J. Chem. Phys. 82, 794 (1985).

  114. John E. Straub and Bruce J. Berne, A rapid method for determining rate constants by molecular dynamics, J. Chem. Phys. 83, 1138 (1985).

  115. D. Thirumalai and B. J. Berne, Path Integral Methods for Simulating Electronic Spectra, Chem. Phys. Letts. 116, 471 (1985).

  116. D. Thirumalai, E. J. Bruskin, and B. J. Berne, On the use of semiclassical dynamics in determining electronic spectra of Br2 in an Ar Matrix, J. Chem. Phys. 83, 230 (1985).

  117. M. Borkovec and B. J. Berne, Collisional Model for Diatomic Recombination Reactions, J. Phys. Chem. 89, 3994-3998 (1985).

  118. A. Wallqvist and B. J. Berne, Path-Integral Simulation of Pure Water, Chem. Phys. Letts. 117, 214. (1985).

  119. John Bartholomew, Randall Hall, and BruceJ. Berne, Behavior of an electron in helium gas, Phys. Rev. B 32, 548 (1985).

  120. John E. Straub, Michal Borkovec and Bruce J. Berne, Shortcomings of current theories of non-Markovian activated rate processes, J. Chem. Phys. 83, 3172 (1985).

  121. D. Thirumalai, B.C. Garrett and B. J. Berne, Evaluation of microcanonical rate constants for bimolecular reactions by path integral techniques, J. Chem. Phys. 83, 2972 (1985).

  122. J. E. Straub, D.A. Hsu, and B. J. Berne, On Determining Reaction Kinetics by Molecular Dynamics Using Absorbing Barriers, J. Phys. Chem. 89, 5188-5191 (1985).

  123. B. J. Berne, Molecular Dynamics and Monte Carlo Simulations of Rare Events, in Multiple Time Scales, Eds. J. U. Brackbill and B. I. Cohen, Academic Press, 419, Orlando (1985).

  124. John E. Straub, Michal Borkovec and Bruce J. Berne, Non-Markovian activated rate processes: Comparison of current theories with numerical simulation data, J. Chem. Phys. 84, 1788 (1986).

  125. Michal Borkovec and Bruce J. Berne, Energy and angular momentum diffusion theory of dissociation rate constants, J. Chem. Phys. 84, 4327 (1986).

  126. A. Wallqvist, D. Thirumalai, and B. J. Berne, Localization of an excess electron in water clusters, J. Chem. Phys. 85, 1583 (1986).

  127. Michal Borkovec, John E. Straub, and Bruce J. Berne, The influence of intramolecular vibrational relaxation on the pressure dependence of unimolecular rate constants, J. Chem. Phys. 85, 146 (1986).

  128. B. J. Berne, Path Integral Monte Carlo Methods: Static and Time-Correlation Functions, J. Stat. Phys. 43, 911 (1986).

  129. B. J. Berne and D. Thirumalai, On the Simulation of Quantum Systems, Ann. Rev. Phys. Chem. 37, 401 (1986).

  130. John E. Straub and Bruce J. Berne, Energy diffusion in many dimensional Markovian systems: The consequences of the competition between inter- and intramolecular vibrational energy transfer, J. Chem. Phys. 85, 2999 (1986).

  131. J. G. Gay and B. J. Berne, Energy Accommodation in Collisions of Small Particles, J. Colloid and Interface Sci. 109, 90 (1986).

  132. A. Wallqvist, C. Pangali, and B. J. Berne, Exploiting Physical Parallelism Using Super Computers: Two Examples from Chemical Physics, Computer, 20, 6 (1987).

  133. John E. Straub, Michal Borkovec and Bruce J. Berne, Numerical simulation of rate constants for a two degree of freedom system in the weak collision limit, J. Chem. Phys. 86, 4296 (1987).

  134. D.F. Coker , B. J. Berne and D. Thirumalai, Path Integral Monte Carlo studies of the behavior of excess electrons in simple fluids, J. Chem. Phys. 86, 5689 (1987).

  135. Michal Borkovec and Bruce J. Berne, Activated barrier crossing for many degrees of freedom: Corrections to the low friction result, J. Chem. Phys. 86, 2444 (1987).

  136. A. Wallqvist, D. Thirumalai, and B. J. Berne, Path integral Monte Carlo study of the hydrated electron, J. Chem. Phys. 86, 6404 (1987).

  137. John E. Straub, Michal Borkovec and Bruce J. Berne, Calculation of Dynamic Friction on Intramolecular Degrees of Freedom, J. Phys. Chem. 91, 4995-4998 (1987).

  138. John E. Straub and Bruce J. Berne, A statistical theory for the effect of nonadiabatic transitions on activated processes, J. Chem. Phys. 87, 6111 (1987).

  139. A. L. R. Bug and B. J. Berne, Shaking-Induced Transition to a Nonequilibrium State, Phys. Rev. Letts. 59, 948 (1987).

  140. Glenn J. Martyna and B. J. Berne, Sructure and energetics of Xen-, J. Chem. Phys. 88, 4516 (1987).

  141. A. Wallqvist and B. J. Berne, Hydrophobic Interaction between a Methane Molecule and a Parafin Wall in Water, Chem. Phys. Letts. 145, 26 (1988).

  142. A. Wallqvist, G. Martyna and B. J. Berne, Behavior of the Hydrated Electron at Different Temperatures: Structure and Absorption Spectrum, J. Phys. Chem. 92, 1721-1730 (1988).

  143. D. F. Coker and B. J. Berne, Excess electronic states in fluid helium, J. Chem. Phys. 89, 2128-2137 (1988).

  144. Bruce J. Berne, Michal Borkovec and John E. Straub, Classical and Modern Methods in Reaction Rate Theory, J. Phys. Chem. Feature Article 92, 3711-3725 (1988).

  145. B. J. Berne and A. Wallqvist, "Comment on: "“Water-water and water-ion potential functions including terms for many body effects,” Terry P. Lybrand and Peter A. Kollman, J. Chem. Phys. 83, 2923-2933, (1985), and on: “Calculation of free energy changes in ion-water clusters using nonadditive potentials and the Monte Carlo method", Piotr Cieplak, Terry P. Lybrand, and Peter A. Kollman, J. Chem. Phys. 86, 6393-6403, (1987), J. Chem. Phys. 88, 8016 (1988).

  146. John E. Straub, Michal Borkovec and Bruce J. Berne, Molecular dynamics study of an Isomerizing diatomic in a Lennard-Jones fluid, J. Chem. Phys., 89, 4833-4877 (1988).

  147. Glenn J. Martyna and Bruce J. Berne, Structure and energetics of Xen-: Many-body polarization effects, J. Chem. Phys. 90, 3744-3755 (1989).

  148. B. J. Berne and A. Wallqvist, On modeling hydrophobic interactions. In Chemica Scripta 29A, editor, the Nobel Symposium on Structure and Dynamics in Biological Systems. 85 (1989).

  149. Jianshu Cao and Bruce J. Berne, On energy estimators in path integral Monte Carlo simulations: Dependence of accuracy on algorithm, J. Chem. Phys. 91, 6359 (1989).

  150. Jianshu Cao and B. J. Berne, Monte Carlo methods for accelerating barrier crossing: Anti-force-bias and variable step algorithms, J. Chem. Phys. 92, 1980 (1989).

  151. Jianshu Cao and B. J. Berne, Low-temperature variational approximation for the Feynman quantum propagator and its application to the simulation of quantum systems, J. Chem. Phys. 92, 7531(1990).

  152. Eli Pollak, Susan C. Tucker and Bruce J. Berne, Variational Transition-State Theory for Reaction Rates in Dissipative Systems, Phys. Rev. Letts. 65, 1399-1402 (1990)

  153. John E. Straub, Bruce J. Berne and Benoit Roux, Spatial dependence of time-dependent friction for pair diffusion in a simple fluid, J. Chem. Phys. 93, 6804 (1990)

  154. Mark E. Tuckerman, Glenn J. Martyna and Bruce J. Berne, Molecular dynamics algorithm for condensed systems with multiple time scales, J. Chem. Phys. 93, 1287-1291 (1990).

  155. B. J. Berne, M. E. Tuckerman, John E. Straub and A. L. R. Bug, Dynamic friction on rigid and flexible bonds, J. Chem. Phys. 93, 5084 (1990).

  156. M. Tuckerman, B. J. Berne and A. Rossi, Molecular dynamics algorithm for multiple time scales: Systems with disparate masses, J. Chem. Phys. 94, 1465-1469 (1991).

  157. R. Bersohn, and B. J. Berne, Chemical Physics, in The Encyclopedia of Physical Science and Technology, 97, (1990).

  158. M. Tuckerman and G. Martyna and B. J. Berne, Molecular dynamics algorithm for multiple time scales: Systems with long range forces, J. Chem. Phys. 94, 6811-6815 (1991).

  159. M. Tuckerman and B. J. Berne, Stochastic molecular dynamics in systems with multiple time scales and memory friction, J. Chem. Phys. 95, 4389 (1991).

  160. M. Tuckerman and B. J. Berne, Molecular dynamics in systems with multiple time scales: Systems with stiff and soft degrees of freedom and with short and long range forces, J. Chem. Phys. 95, 8362-8364 (1991).

  161. S. Tucker, M. Tuckerman, B. J. Berne and E. Pollak, Comparison of rate theories for generalized Langevin dynamics, J. Chem. Phys. 95, 5809 (1991).

  162. D. Thirumalai and B. J. Berne, Methods for Simulating Time Correlation Functions in Quantum Systems, Comp. Phys. Comm. 63, 415 (1991).

  163. D. F. Coker and B. J. Berne, Quantum Calculations on Excess Electrons in Disordered Media, Excess Electrons in Dielectric Media, Eds. C. Ferradini and J. P. Jay-Gerin, CRC Press, Boca Raton, FL, 211-257, (1991).

  164. Space, D. F. Coker, Z. H. Liu, B. J. Berne, Density dependence of excess electronic ground-state energies in simple atomic fluids, J. Chem. Phys. 97, 2002, (1992).

  165. M. E. Tuckerman, G. J. Martyna and B. J. Berne, Reversible multiple time scale molecular dynamics, J. Chem. Phys. 97, 1990-2001 (1992).

  166. J. Cao and B. J. Berne, A new quantum propagator for hard sphere and cavity systems, J. Chem. Phys. 97, 2382 (1992).

  167. Amy L. Bug, E. L. Grossman, D. D. Morgan III and B. J. Berne, Diffusion-limited reactions in spherical cavities, J. Chem. Phys. 96, 12, 8840, (1992).

  168. R. Bersohn and B. J. Berne, Chemical Physics I Properties of Individual and Pairs of Molecules II Collective Properties, in the Encyclopedia of Modern Physics, 3, 205 (1992).

  169. J. Cao and B. J. Berne, Many-body dispersion forces of polarizable clusters and liquids, J. Chem. Phys. 97, 8628 (1992).

  170. E. Pollak, J. Bader, P. Talkner, and B. J. Berne, Theory of Correlated Hops in Surface Diffusion, Phys. Rev. Letts. 70, 3299 (1993).

  171. M. E. Tuckerman and B. J. Berne, Vibrational relaxation in simple fluids: Comparison of theory and simulation, J. Chem. Phys. 98, 7301-7318 (1993).

  172. J. Cao and B. J. Berne. Theory of polarizable liquid crystals: Optical birefringence, J. Chem. Phys. 99, 2213 (1993).

  173. M. Tuckerman, G. J. Martyna, and B. J. Berne. Reply to Comment on: Reversible multiple time scale molecular dynamics, J. Chem. Phys. 99, 2278 (1993).

  174. M. Tuckerman, G. Martyna, M. L. Klein, and B. J. Berne. Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals, J. Chem. Phys. 99, 2796-2808 (1993).

  175. J. Cao and B. J. Berne. A Born-Oppenheimer approximation for path integrals with an application to electron solvation in polarizable fluids, J. Chem. Phys. 99, 2902 (1993).

  176. Z. Liu and B. J. Berne, Method for accelerating chain folding and mixing, J. Chem. Phys. 99 (8), 6071 (1993).

  177. J. Cao and B. J. Berne, Theory and simulation of polar and nonpolar polarizable fluids, J. Chem. Phys. 99 (9), 6998, (1993); Erratum 100, 4720 (1994).

  178. Z. Liu and B. J. Berne. Electron solvation in methane and ethane. J. Chem. Phys. 99, 9054 (1993).

  179. B. J. Berne, Theoretical and Numerical Methods in Rate Theory, in Activated Barrier Crossing, ed., Hänggi and Fleming, World Scientific, London (1993).

  180. A. Wallqvist and B. J. Berne, Effective Potentials for Liquid Water Using Polarizable and Nonpolarizable Models, J. Phys. Chem. 97, 13841-13851 (1993).

  181. B. J. Berne, Multiple Time Scale in Molecular Dynamics: Applications to Vibrational Relaxation, in Jerusalem Symposium 26, Eds. J. Jortner and R. Levine, 471, Uluwer Academic Publishers (1994).

  182. S. Rick and B. J. Berne, The Aqueous Solvation of Water: A Comparison of Molecular and Continuum Methods, J. Am. Chem. Soc. 116, 3949 (1994).

  183. J. S. Bader, and B.J. Berne, Quantum and classical relaxation rates from classical simulations, J. Chem. Phys. 100, 8359 (1994).

  184. Darryl D. Humphreys, Richard A. Friesner, and Bruce J. Berne. A Multiple-Time-Step Molecular Dynamics Algorithm for Macromolecules, J. Phys. Chem. 98, 6885-6892 (1994).

  185. P. Procacci, and B. J. Berne, Multiple Time Scale Methods for Constant Pressure Molecular Dynamics Simulations of Molecular Systems. Molecular Phys. 83, 255 (1994).

  186. P. Procacci, and B. J. Berne, Computer simulation of solid C60 using multiple time-step algorithms, J. Chem. Phys. 101, 2421 (1994).

  187. S. W. Rick, S. Stuart, and B. J. Berne, Dynamical fluctuating charge force fields: Application to liquid water, J. Chem. Phys. 101, 6141 -6156 (1994).

  188. J. Cao, and B. J.Berne, Erratum: Theory and simulation of polar and nonpolar polarizable fluids [J. Chem. Phys. 99, 6998 (1993)], J. Chem. Phys., 100 (6) 4720 (1994).

  189. E. Gallicchio, and B. J. Berne, The Absorption Spectrum of the Solvated Electron in Fluid Helium by Maximum Entropy Inversion of Imaginary Time Correlation Function from Path Integral Monte Carlo Simulations, J. Chem. Phys. 101, 9909 (1994).

  190. J. Bader, E. Pollak, and B. J. Berne, Activated rate processes: The reactive flux method for one-dimensional surface diffusion, J. Chem. Phys. 102, 4037 (1995).

  191. P. Jung, and B. J. Berne. The Theory of Multi-Barrier Crossing in New Trends Kramer's Reaction Rate Theory, Eds. P. Talkner and P. Hänggi, pages 67-92, Kluwer Academic Publishers (Dordecht, Netherlands, 1995).

  192. R. Zhou and B. J. Berne. A new molecular dynamics method combining the reference system propagator algorithm with a fast multipole method for simulating proteins and other complex systems, J. Chem. Phys. 103, 9444-9459 (1995).

  193. Michael H. New and B.J. Berne. Molecular Dynamics Calculation of the Effect of Solvent Polarizability on the Hydrophobic Interaction, J. Am. Chem. Soc. 117, 7172-7179 (1995).

  194. J. S. Bader and B. J. Berne. Solvation energies and electronic spectra in polar, polarizable media: Simulation tests of dielectric continuum theory, J. Chem. Phys. 104, 1293 (1995).

  195. Darryl D. Humphreys, Richard A. Friesner, and Bruce J. Berne. Simulated Annealing of a Protein in a Continuum Solvent by Multiple-Time-Step Molecular Dynamics, J. Phys. Chem. 99, 10674-10685 (1995).

  196. J. Cao, and B. J. Berne, A scaling and mapping theory for excess electrons in simple fluids, J. Chem. Phys. 102, 432 (1995).

  197. J. S. Bader and B.J. Berne, The energy-dependent transmission coefficient and the energy distribution of classical particles escaping from a metastable well, J. Chem. Phys. 102, 7953 (1995).

  198. Mishra and B. J. Berne, Hydrodynamic calculation of the frequency dependent friction on the bond of a diatomic molecule, J. Chem. Phys. 103, 1160 (1995).

  199. A. Wallqvist and B. J. Berne, Molecular Dynamics Study of the Dependence of Water Solvation Free Energy on Solute Curvature and Surface Area, J. Phys. Chem. 99, 2885-2893 (1995).

  200. A. Wallqvist and B. J. Berne, Computer Simulation of Hydrophobic Hydration Forces on Stacked Plates at Short Range, J. Phys. Chem. 99, 2893-2899 (1995).

  201. S. Rick , S. Stuart, J. S. Bader and B. J. Berne. Fluctuating Charge Force Fields for Aqueous Solutions, J. Mol. Liq. 65-66, 31 (1995).

  202. J. Bader, B. J. Berne, E. Pollak, and P. Hanggi. The energy relaxation of a nonlinear oscillator coupled to a linear bath, J. Chem. Phys. 104, 1111 (1996).

  203. S. Rick and B. J. Berne, Dynamical Fluctuating Charge Force Fields: The Aqueous Solvation of Amides, J. Am. Chem. Soc. 118, 672-679 (1996).

  204. R. Zhou, S. Stuart and B. J. Berne, Molecular dynamics for nonequilibrium systems in which there are a small number of very hot particles in a cold bath: Reference system propagator methods, J. Chem. Phys. 105, 235 (1996).

  205. S. J. Stuart and B. J. Berne, Effects of Polarizability on the Hydration of the Chloride Ion, J. Phys. Chem. 100, 11934-11943 (1996).

  206. S. J. Stuart, Ruhong Zhou and B. J. Berne, Molecular dynamics with multiple time scales: The selection of efficient reference system propagators, J. Chem. Phys. 105, 1426-1436 (1996).

  207. Gallicchio and B. J. Berne, On the calculation of dynamical properties of solvated electrons by maximum entropy analytic continuation of path integral Monte Carlo data, J. Chem. Phys. 105, 7064-7078 (1996).

  208. M. Müser and B. J. Berne, Path-Integral Monte Carlo Scheme for Rigid Tops: Application to the Quantum Rotator Phase Transition in Solid Methane, Phys. Rev. Letts. 77, 2638-2641 (1996).

  209. J. Berne, Inferring the hydrophobic interaction from the properties of neat water, Proc. Nat. Acad. Sci. USA 93, 8800-8803 (1996).

  210. B.J. Berne and J. E. Straub, Novel methods of sampling phase space in the simulation of biological systems, Current Topics in Structural Biology, 7 (2), 181-189 (1997).

  211. Joel S. Bader, Christian M .Cortis and B.J. Berne, Solvation and reorganization energies in polarizable molecular and continuum solvents, J. Chem. Phys. 106, 2372-2387 (1997).

  212. Francisco Figueirido, Ronald M. Levy, Ruhong Zhou, B.J. Berne, Large scale simulation of macromolecules in solution: Combining the periodic fast multipole method with multiple time step integrators, J. Chem. Phys. 106, 9835-9849 (1997).

  213. M. H. Müser and B. J. Berne, Circumventing the pathological behavior of path- integral Monte Carlo for systems with Coulomb potentials, J. Chem. Phys. 107, 571-575 (1997).

  214. Gerhard Hummer, Lawrence R. Pratt, Angel E. Garcia, Bruce J. Berne and Steven W. Rick, Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules, J. Phys. Chem. 101, 3017-3020 (1997).

  215. L. Root, and B.J. Berne, Effect of pressure on hydrogen bonding formation in glycerol: A molecular dynamics investigation, J. Chem. Phys. 107, 4350-4357 (1997).

  216. J. Daniel Gezelter, Eran Rabani and B.J. Berne, Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion?, J. Chem. Phys. 107, 4618-4627 (1997).

  217. Eran Rabani, J. Daniel Gezelter and B.J. Berne, Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage Correlations, J. Chem. Phys. 107, 6867-6876 (1997).

  218. S. A. Egorov, E. Gallicchio and B. J. Berne, Vibrational energy relaxation in condensed phases: Quantum vs. classical bath for multiphonon processes, J. Chem. Phys. 107, 6050-6061 (1997).

  219. S. A. Egorov and B. J. Berne, The simulation of electronic absorption spectrum of a chromophore coupled to a condensed phase environment: Maximum entropy versus singular value decomposition, J. Chem. Phys. 107, 9312-9319 (1997).

  220. Ruhong Zhou and B. J. Berne, Smart walking: A new method for Boltzmann sampling of protein conformations, J. Chem. Phys. 107, 9185-9196 (1997).

  221. Steven W. Rick and B. J. Berne, Free Energy of the Hydrophobic Interaction from Molecular Dynamics Simulations: The Effects of Solute and Solvent Polarizability, J. Phys. Chem. B 101, 10488-10493 (1997).

  222. S. A. Egorov, E. Rabani and B. J. Berne, Vibronic spectra in condensed matter: A comparison of exact quantum mechanical and various semiclassical treatments for a harmonic bath, J. Chem. Phys. 108, 1407-1422 (1998).

  223. Yi-Ping Liu, Kyungsun Kim, B. J. Berne, Richard A. Friesner and Steven W. Rick, Constructing ab initio force fields for molecular dynamics simulations, J. Chem. Phys. 108, 4739-5755 (1998).

  224. A. Wallqvist and B. J. Berne, Hydrophobic Interaction Between A Methane Molecule and A Paraffin Wall In Liquid Water*, Chem. Phys. Letts. 145, 1, 26-32 (1998).

  225. Bruce J. Berne, Molecular dynamics methods for the enhanced sampling of phase space, in Classical and Quantum Dynamics in Condensed Matter Simulations, ed. B. J. Berne, G. Ciccotti and D. Coker, 127-156, World Scientific, Singapore, (1998).

  226. Gallicchio, S. A. Egorov and B. J. Berne, On the application of numerical analytical continuation methods to the study of quantum mechanical vibrational relaxation processes, J. Chem. Phys. 109, 7745-7755 (1998).

  227. Rabani, S. A. Egorov and B. J. Berne, A comparison of exact quantum mechanical and various semiclassical treatments for the vibronic absorption spectrum: The case of fast vibrational relaxation, J. Chem. Phys. 109, 6376-6381 (1998).

  228. Bruce J. Berne and M. Borkovec, Classical theories of reaction dynamics: Transition state theory, spatial diffusion controlled reactions, and the energy diffusion limit, Faraday Trans. 94, 2717-2723 (1998).

  229. J. Daniel Gezelter, Eran Rabani and B. J. Berne, Response to "Comment on a critique of the instantaneous normal mode (INM) approach to diffusion", [J. Chem. Phys. 109, 4693 (1998)], J. Chem. Phys. 109, 4695-4696 (1998).

  230. Eran Rabani and B. J. Berne, Energy Dissipation in Nonlinear Systems Coupled to a Bath: On the Use of Perturbative Maps, J. Phys. Chem. A 102, 9380-9389 (1998).

  231. B. J. Berne, Molecular Dynamics and Hybrid Monte Carlo in Systems with Multiple Time Scales and Long-range Forces: Reference System Propagator Algorithms, in "The Encyclopedia of Computational Chemistry," Schleyer, P. v. R.;Allinger, N. L., Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester, 1998, Vol. 3, 1614-1620.

  232. J. Banks, G. A. Kaminski, R. Zhou, D. Mainz, B. J. Berne and R. Friesner, Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model, J. Chem. Phys. 110, 741-754 (1999).

  233. Hummer, L. R. Pratt, A. E. Garcia , S. Rick and B. J.Berne, Reply to Comment on "Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules,", J. Phys. Chem. B 102, 3841-3843 (1998).

  234. Gershinsky and B. J. Berne, The rate constant for activated barrier crossing: The competition between IVR and energy transfer to the bath, J. Chem. Phys. 110, 1053-1060 (1999).

  235. J. Daniel Gezelter, Eran Rabani, and B. J. Berne, Calculating the hopping rate for diffusion in molecular liquids: CS2, J. Chem. Phys. 110, 3444-3452 (1999).

  236. Eran Rabani, Balazs Hetenyi, B. J. Berne, and L. E. Brus, Electronic properties of CdSe nanocrystals in the absence and presence of dielectric medium, J. Chem. Phys. 110, 5355-5369 (1999).

  237. S. A. Egorov, Eran Rabani and B. J. Berne, Nonradiative relaxation processes in condensed phases: Quantum versus classical baths, J. Chem. Phys. 110, 5238-5248 (1999).

  238. Balazs Hetenyi, Eran Rabani, and B. J. Berne, Path-integral diffusion Monte Carlo: Calculation of observables of many-body systems in the ground state, J. Chem. Phys. 110, 6143-6153 (1999).

  239. Eran Rabani, J. Daniel Gezelter and B. J. Berne, Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using the Cage Correlation Function, Phys. Rev. Letts. 82, 3649-3652 (1999).

  240. Huafeng Xu and B. J. Berne, Multicanonical jump walking: A method for efficiently sampling rough energy landscapes, J. Chem. Phys. 110, 10299-10306 (1999).

  241. Harry A. Stern, George A. Kaminski, Jay L. Banks, Ruhong Zhou, B. J. Berne, and R. Friesner, Fluctuation Charge, Polarizable Dipole, and Combined Models: Parametrization from ab Initio Quantum Chemistry, J. Phys. Chem. B 103, 4730-4737 (1999).

  242. Goran Krilov and B. J. Berne, Real time quantum correlation functions. I. Centroid molecular dynamics of anharmonic systems, J. Chem. Phys. 111, 9140-9146 (1999).

  243. Goran Krilov and B. J. Berne, Real time quantum correlation functions. II. Maximum energy numerical analytic continuation of path integral Monte Carlo and centroid molecular dynamics data, J. Chem. Phys. 111, 9147-9156 (1999).

  244. B. J. Berne, Molecular dynamics in systems with multiple time scales: Reference system propagator algorithms, in Algorithms for Macromolecular Modelling in: Lecture Notes in Computational Science and Engineering Vol. 3, eds. P. Deuflhard, J. Hermans, B. Leimkuhler, A. Mark, S. Reich and R.D. Skeel, Springer-Verlag, Berlin, (1999).

  245. Balazs Hetenyi, M. Mueser, and B. J. Berne, Second-Order Reentrant Phase Transition in the Quantum Anisotropic Planar Rotor Model, Phys. Rev. Letts. 83, 4606-4609 (1999).

  246. S. Stuart and B. J. Berne, Surface Curvature Effects in the Aqueous Ionic Solvation of the Chloride Ion, J. Phys. Chem. A 103, 10300-10307 (1999).

  247. S. A. Egorov, Eran Rabani and B. J. Berne, On the Adequacy of Mixed Quantum-Classical Dynamics in Condensed Phase Systems, J. Phys. Chem. B 103, 10978-10991 (1999).

  248. EranRabani, S. A. Egorov and B. J. Berne, Classical Approximation to Nonradiative Electronic Relaxation in Condensed Phase Systems, J. Phys. Chem. A 103, 9539-9544 (1999).

  249. Yong-Han Lee and B. J. Berne, Global Optimization: Quantum Thermal Annealing with Path Integral Monte Carlo, J. Phys. Chem. A 104, 86-95 (2000).

  250. B. J. Berne, Perspective on "Statistical mechanics of isomerization dynamics in liquids and the transition state approximation", Chandler D. (1978) J. Chem. Phys. 68, 2959, Theor. Chem. Acc., 103, 335-336, (2000).

  251. Eran Rabani, Goran Krilov and B. J. Berne, Quantum mechanical canonical rate theory: A new approach based on the reactive flux and numerical analytic continuation methods, J. Chem. Phys. 112, 2605-2614 (2000).

  252. Huafeng Xu and B. J. Berne, Multicanonical jump walking annealing: An efficient method for geometric optimization, J. Chem. Phys. 112, 2701-2708 (2000).

  253. Gustavo Stolovitzky and B. J. Berne, Catalytic tempering: A method for sampling rough energy landscapes by Monte Carlo, Proc. Nat. Acad. Sci. 97, 11164-11169, (2000).

  254. Yong-Han Lee and B. J. Berne, A renormalization approach to quantum thermal annealing, Ann. Phys. 9-10, 668-678 (2000).

  255. Bruce J. Berne and R. Pecora, Dynamic Light Scattering. Dover Publications, New York (2000).

  256. Eran Rabani, J.D. Gezelter, and B.J. Berne, Reply to "Comment on Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using the Cage Correlation Function", Phys. Rev. Letts. 85, 467 (2000).

    257. -
  257. Yong-Han Lee and B. J. Berne, Quantum Thermal Annealing with Renormalization: Application to a Frustrated Model Protein, J. Phys. Chem. A 105, 459-464 (2001).

  258. Goran Krilov,Eunji Sim and B. J. Berne, Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach, J. Chem. Phys. 114, 1075-1088, (2001).

  259. Balazs Hetenyi and B. J. Berne, Ground state of the quantum anisotropic planar rotor model: A finite size scaling study of the orientational order-disorder phase transition, J. Chem. Phys. 114, 3674-3682 (2001).

  260. Eunji Sim, Goran Krilov and B. J. Berne, Quantum Rate Constants from Short-Time Dynamics: An Analytic Continuation Approach, J. Phys. Chem. 105, 2824-2833 (2001).

  261. Goran Krilov, Eunji Sim and B. J. Berne, On the Bayesian approach to calculating time correlation functions in quantum systems; reaction dynamics and spectroscopy, Chem. Phys. 268, 21-34 (2001).

  262. Harry A. Stern, F. Rittner, B. J. Berne, and Richard A. Friesner, Combined fluctuating charge and polarizable dipole models: Application to a five-site water potential function, J. Chem. Phys. 115, 2237-2251 (2001).

  263. Ruhong Zhou, Edward Harder, Huafeng Xu and B. J. Berne, Efficient multiple time step method for use with Ewald and particle mesh Ewald for large biomolecular systems, J. Chem. Phys. 115, 2348-2358 (2001).

  264. Bruce J. Berne, Autobiography of Bruce J. Berne, J. Phys. Chem. 105, 6455-6461 (2001).

  265. Harry A. Stern and B.J. Berne, Quantum effects in liquid water: Path-integral simulations of a flexible and polarizable ab initio model, J. Chem. Phys. 115, 7622-7628, (2001).

  266. Huafeng Xu and B.J. Berne, Hydrogen-Bond Kinetics in the Solvation Shell of a Polypeptide, J. Phys. Chem. B 105, 11929-32 (2001).

  267. Ruhong Zhou and B. J. Berne and Robert Germain, The free energy landscape for ß hairpin folding in explicit water, Proc. Nat. Acad. Sci. 98, 14931-14936 (2001).

  268. Eran Rabani and David R. Reichman and Goran Krilov and B. J. Berne, The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: Application to liquid para-hydrogen, Proc. Nat. Acad. Sci. 99. 1129-1133, (2002).

  269. Huafeng Xu and B.J. Berne, Can Water Polarizability Be Ignored in Hydrogen Bond Kinetics?, J. Phys. Chem. B 106, 2054-2060 (2002).

  270. Claudio J. Margulis and E. Sim and V. Guallar and B. J. Berne, A New Semiempirical Approach to Study Ground and Excited States of Metal Complexes in Biological Systems, J. Phys. Chem. B 106, 8038-8046, (2002).

  271. George A. Kaminski and H. A. Stern and and B. J. Berne and R. Friesner, Development of a Polarizable Force Field For Proteins via AbInitio Quantum Chemistry: First Generation Model and Gas Phase Tests, J. Comp. Chem. 23, 1515-1531, (2002).

  272. Ruhong Zhou and B. J. Berne, Can a continuum solvent model reproduce the free energy landscape of a ß-hairpin folding in water?, Proc. Nat. Acad. Sci. 99, 12777-12782, (2002).

  273. Claudio J. Margulis, H. A. Stern and B. J. Berne, Helix Unfolding and Intramolecular Hydrogen Bond Dynamics in Small , J. Phys. Chem. B 106, 10748-10752, (2002).

  274. Balazs Hetenyi, Katarzyna Bernacki and Bruce J. Berne, Multiple "time step" Monte Carlo, J. Chem. Phys. 117, 8203-8207, (2002).

  275. Claudio J. Margulis, H. A. Stern and B. J. Berne, Computer Simulation of a "Green Chemistry" Room-Temperature Ionic Solvent, J. Phys. Chem. B 106, 12017-12021, (2002).

  276. Pu Liu and B. J. Berne, Quantum path minimization: An efficient method for global optimization, J. Chem. Phys. 118, 7, 2999-3005 (2003).

  277. X. Huang, C. J. Margulis, and B. J. Berne, Do Molecules as Small as Neopentane Induce a Hydrophobic Response Similar to That of Large Hydrophobic Surfaces?, J. Phys. Chem. B 107, 42, 11742-11748 (2003).

  278. X. Huang, C. J. Margulis, and B. J. Berne, Dewetting-induced collapse of hydrophobic particles, Proc. Nat. Acad. Sci. 100, 21, 11953-11958 (2003).

  279. George A. Kaminski, H. A. Stern, B. J. Berne and R. Friesner, Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from Quantum Chemistry, J. Phys. Chem. A 108, 621-627 (2004).

  280. Katarzyna Bernacki, Balazs Hetenyi and B. J. Berne, Multiple “time step” Monte Carlo simulations: Application to charged systems with Ewald summation, J. Chem. Phys. 121, 44-50 (2004).

  281. Pu Liu, Edward Harder and B. J. Berne, On the Calculation of Diffusion Coefficients in Confined Fluids and Interfaces with an Application to the Liquid-Vapor Interface of Water, J. Phys. Chem. B 108, 21, 6595-6602 (2004).

  282. Ruhong Zhou, Goran Krilov, and Bruce J. Berne, Comment on “Can a Continuuum Solvent Model Reproduce the Free Energy Landscape of a ß-hairpin Folding in Water, J. Phys. Chem. B 108, 22, 7528-7530 (2004).

  283. Xuhui Huang, Claudio J. Margulis, and Bruce J. Berne, Reply to Comment on “Do Molecules as Small as Neopentane Induce a Hydrophobic Response Similar to that of Large Hydrophobic Surfaces?”, J. Phys. Chem. B 108, 9373-9374 (2004).

  284. Ruhong Zhou, Xuhui Huang, Claudio Margulis, and Bruce J. Berne, Hydrophobic Collapse in Multi-domain Protein Folding, Science 305, 1605-1609 (2004).

  285. Bruce J. Berne, Louis Brus, George W. Flynn, and James J. Valentini, Richard Bersohn, Physics Today 57, 82-83 (2004).

  286. Yuhui Li, Goran Krilov and B.J. Berne, Elastic Bag Model for Molecular Dynamics Simulations of Solvated Systems: Application to Liquid Argon J. Phys. Chem. B 109, 1, 463-470 (2005).

  287. Edward Harder, Byungchan Kim, Richard A. Friesner, and Bruce J. Berne, Efficient Simulation Method for Polarizable Protein Force Fields: Application to the Simulation of BPTI in Liquid Water, J. Chem. Theor. and Comp. 1, (1) 169-180, (2005).

  288. Pu Liu, Edward Harder and Bruce J. Berne, Hydrogen Bond Dynamics in the Air-water Interface, J. Phys. Chem. B 109, 7, 2949-2955 (2005).

  289. Xuhui Huang, Ruhong Zhou and Bruce J. Berne, Drying and Hydrophobic Collapse of Paraffin Plated, J. Phys. Chem. B 109, 3546-3552 (2005).

  290. Thomas Müller, Tova L. Werblowsky, Gina M. Florio, Bruce J. Berne and George W. Flynn, Ultra-High Vacuum Scanning Tunneling Microscopy and Theoretical Studies of 1-Halohexane Monolayers on Graphite, Proc. Nat. Acad. Sci. 102, 15, 5315-5322 (2005).

  291. Gina M. Florio, Tova L. Werblowsky, Thomas Mueller, Bruce J. Berne and George W. Flynn, Self-Assembly of Small Polycyclic Aromatic Hydrocarbons on Graphite: A Combined Scanning Tunneling Microscopy and Theoretical Approach, J. Phys. Chem B 109, 10, 4520-4532 (2005).

  292. Cho, Victor Guallar, Bruce J. Berne and Richard Friesner, Importance of Accurate Charges in Molecular Docking: Quantum Mechanical/Molecular Mechanical (QM/MM) Approach, J. Comp. Chem. 26, 9, 915-931 (2005).

  293. Byungchan Kim, Tom Young, Edward Harder, Richard A. Friesner, and Bruce J. Berne, Structure & Dynamics of the Solvation of Bovine Pancreatic Trypsin Inhibitor in Explicit Water: A Comparative Study of the Effects of Solvent and Protein Polarizability, J. Phys. Chem. B 109, 34, 16529-16538 (2005).

  294. Pu Liu, Xuhui Huang, Ruhong Zhou, and B. J. Berne, Observation of a Dewetting Transition in the Collapse of the Melittin Tetramer, Nature 437, 159-162 (2005).

  295. Edward Harder, Joel D. Eaves, Andrei Tokmakoff and Bruce J. Berne, Polarizable Molecules in the Vibrational Spectroscopy of Water, Proc. Nat. Acad. Sci. 102, 33, 11611-11616 (2005).

  296. Pu Liu, Byungchan Kim, Richard A. Friesner, and Bruce J. Berne, Replica Exchange with Solute Tempering: A Method for Sampling Biological Systems in Explicit Water, Proc. Nat. Acad. Sci. 102, 39, 13749-13754. (2005).

  297. Xuhui Huang, Claudio J. Margulis, Yuhui Li and Bruce J. Berne, Why is the Partial Molar Volume of CO2 So Small When Dissolved in a Room Temperature Ionic Liquid? Structure and Dynamics of CO2 Dissolved in [Bmim+] [PF6-], J. Am. Chem. Soc. 127, 50, 17842-17851 (2005).

  298. Eran Rabani, Goran Krilov, David R. Reichman, and Bruce J. Berne, Transport Properties of Normal Liquid Helium: Comparison of Various Methodologies, J. Chem. Phys. 123, 184506 (2005).

  299. J. L. Banks and H. S. Beard and Y. X. Cao, A. E. Cho,W. Damm, R. Farid, A. K. Felts, T. A. Halgren, D. T. Mainz, J. R. Maple, R. Murphy,D. M. Philipp, M. P. Repasky, L. Y. Zhang, B. J. Berne, R. A. Friesner, E. Gallicchio and R. M. Levy, Integrated Modeling Program, Applied Chemical Theory (IMPACT), J. Comp. Chem. 26, 1752-1780, (2005).

  300. Bruce J. Berne, Chemical Theory and Computation, Proc. Nat. Acad. Sci. 102, 19, 6647 (2005).

  301. Lan Hua, Xuhui Huang, Ruhong Zhou, and Bruce J. Berne, Dynamics of Water Confined in the Interdomain Region of a Multidomain Protein, J. Phys. Chem. B 110, 8, 3704-3711 (2006).

  302. Yuhui Li, Goran Krilov, Bruce J. Berne, Elastic Bag Model for Molecular Dynamics Simulations of Solvated Systems: Application to Liquid Water and Solvated Peptides, J. Phys. Chem. B 110, 13256-13263 (2006).

  303. Pu Liu, Xuhui Huang, Ruhong Zhou, and Bruce J. Berne, Hydrophobic Aided Replica Exchange: an Efficient Algorithm for Protein Folding in Explicit Solvent, J. Phys. Chem. B 110, 19018-19022 (2006).

  304. Ronen Zangi and Bruce J. Berne, Aggregation and Dispersion of Small Hydrophobic Particles in Aqueous Electrolyte Solutions, J. Phys. Chem. B 110, 22736-22741 (2006).

  305. Gina M. Floria, Jennifer E. Klare, Michelle O. Pasamba, Tova L. Werblowsky, Michelle Hyers, Bruce J. Berne, Mark S. Hybersen, Colin Nuckolls, and George W. Flynn, Frustrated Ostwald Ripening in Self-Assembled Monolayers of Cruciform π-Systems, Langmuir 22, 10003–10008 (2006).

  306. Byungchan Kim, Morten Hagen, Pu Liu, Richard A. Friesner, and Bruce J. Berne, Serial Replica Exchange, J. Phys. Chem. B 111, 1416-1423 (2007).

  307. Tom Young, Robert Abel, Byungchan Kim, Bruce J. Berne, and Richard A. Friesner, Motifs for Molecular Recognition Exploiting Hydrophobic Enclosure in Protein-Ligand binding, Proc. Nat. Acad. Sci. (USA), 104, 3, 808-813 (2007).

  308. Ronen Zangi, Morten Hagen, and Bruce J. Berne, Effect of Ions on the Hydrophobic Interaction Between Two Plates: Salting-In and Salting-Out as a Function of Ionic Strength, J. Am. Chem. Soc. 129, 15, 4678-4686 (2007).

  309. Ruhong Zhou, Maria Eleftheriou, Ajay K. Royyuru, Bruce J. Berne, Destruction of Long-range Interactions by a Single Mutation in Lysozyme, Proc. Nat. Acad. Sci. (USA), 104, 5824-5829 (2007).

  310. Ruhong Zhou, Maria Eleftheriou, Ajay K. Royyuru, Bruce J. Berne, Destruction of Long-range Interactions by a Single Mutation in, (Correction to PNAS 104, 14, 5824-5829 (2007) Lysozyme, Proc. Nat. Acad. Sci. (USA), 104, 11507 (2007).

  311. Kirstin A. Walther, Frauke Gräter, Lorna Dougan, Carmen L. Balilla, Bruce J. Berne, and Julio Fernandez. Signatures of Hydrophobic Collapse in Extended Proteins Captured with Force Spectroscopy, Proc. Nat. Acad. Sci. (USA), 104, 7916-7921 (2007).

  312. Xuhui Huang, Morten Hagen, Byuncghan Kim, Richard A. Friesner, Ruhong Zhou, and Bruce J. Berne, Replica Exchange with Solute Tempering: Efficiency in Large Scale Systems, J. Phys. Chem. B 111 (19), 5405-5410, (2007).

  313. Lan Hua, Xuhui Huang, Pu Liu, Ruhong Zhou, and Bruce J. Berne, Nanoscale Dewetting Transition in Protein Complex Folding, J. Phys. Chem. B 111 (30), 9069-9077, (2007).

  314. Arun P. Wiita, Raul Perez-Jimenez, Kirstin A. Walther, Frauke Graeter, Bruce J. Berne, Arne Holmgren, Jose M. Sanchez-Ruiz, and Julio M. Fernandez, Probing the Chemistry of Thioredoxin Catalysis with Force, Nature, 450, 124-127 (2007).

  315. Kavita Kannappan, Tova L. Werblowsky, Kwang T. Rim, Bruce J. Berne and George W. Flynn, An Experimental and Theoretical Approach towards the Formation of Nanostructures of Self-Assembled Cyanuric Acid through Hydrogen Bond Networks on Graphite, J. Phys. Chem. B 111, 6634-6642 (2007).

  316. Boaz Ilan, B. J. Berne, and George W. Flynn, Self-Assembly of Racemic (R)/(S)-2-bromohexadecoanoic Acid on a Graphic Surface: Enantio-pure or Enantio-mixed Domains?, J. Phys. Chem. C, 111, 18243-18250, (2007).

  317. Ruhong Zhou, Maria Eleftheriou, C. C. Hon, R. S. Germain, Ajay K. Royyuru, and Bruce J. Berne, Massively Parallel Molecular Dynamics Simulations of Lysozome Unfolding, IBM J. Res and Dev., 52, 19-30, (2008).

  318. Robert Abel, Tom Young, Ramy Farid, B. J. Berne, and Richard A. Friesner, The role of the active site solvent in thermodynamics of factor Xa-ligand binding, J. Am. Chem. Soc., 130, 2817-2831 (2008).

  319. Ronen Zangi and Bruce J. Berne, Temperature Dependence of Dimerization and Dewetting Large Scale Hydrophpobes: A Molecular Dynamics Study, J. Phys. Chem. B, 112, 8634-8644 (2008).

  320. Mary Griffin Krone, Lan Hua, Patricia Soto, Ruhong Zhou, Bruce J. Berne, and Joan-Emma Shea, Role of water in mediating the assembly of Alzheimer Amyloid-Beta ab16-22 Protofilaments, J. Am. Chem. Soc., 130, 11066-11072, (2008).

  321. Frauke Graeter, Pascal Heider, Ronen Zangi, and Bruce J. Berne, Dissecting entropic coiling and poor solvent effects in protein collapse, J. A. Chem. Soc., 130, 11578-11579, (2008).

  322. Boaz Ilan, Gina Florio, Mark Hybersten, Bruce J. Berne, and George W. Flynn, Scanning Tunneling Microscopy Images of Alkane Derivatives on Graphite: Role of Electronic Effects, Nano Lett., 8, 3160-3165, (2008).

  323. Lan Hua, Ruhong Zhou, David Thirumalai, and Bruce J. Berne, Urea Denaturation by stronger dispersion interactions with proteins than water implies a two stage unfolding, Proc. Nat. Acad. Sci. USA, 105, 16928-16933, (2008).

  324. Gina M. Florio, Boaz Ilan, Thomas Mueller, Tova L. Werblowsky, Bruce J. Berne and George W. Flynn, Chain-length effects on the Self-Assembly of Short 1-Bromoalkanes Monolayers on Graphite, J. Phys. Chem. C, 112, 18067-18075, (2008).

  325. Sterling Paramore, Liwen Cheng and Bruce J. Berne, A Systematic Comparison of Pariwise and Many-Body Silica Potentials, J. Chem. Theory Comput., C,4, 1698-1708 (2008).

  326. Gina M. Florio, Boaz Ilan, Thomas Mueller, Tova L. Werblowsky, Thomas A. Baker, J. Meier, Adam Rothman, Bruce J. Berne, and George W. Flynn, Solvent effects on the Self-Assembly of 1-Bromoalkanes on Graphite, Part I: Scanning Tunneling Micrsocopy, J. Phys. Chem. C , 113, 3631-3640 (2009).

  327. Boaz Ilan, Gina M. Florio, Tova L. Werblowsky, Thomas Mueller, Mark Hybertsen, Bruce J. Berne, and George W. Flynn, Solvent effects on the Self-Assembly of 1-Bromoalkanes on Graphite, Part II: Theory, J. Phys. Chem. C , 113, 3641-3649 (2009).

  328. Ronen Zangi, Ruhong Zhou, and Bruce J. Berne, Urea's action on hydrophobic interactions, J. Am. Chem. Soc., 131,1535-1541, (2009).

  329. Lan Hua, Ronen Zangi, and Bruce J. Berne, Hydrophobic interactions and dewetting between plates with hydrophobic and hydrophilic domains,, J. Phys. Chem. C 113, 5244-5253, (2009).

  330. Lingle Wang, Robert Able, Richard A. Friesner, and Bruce J. Berne,Thermodynamic Properties of Liquid Water: An Application of a Nonparametric Approach to Computing the Entropy of a Neat Fluid, J. Chem. Theo. Comput. 5, 1462-1473, (2009)

  331. Bruce J. Berne, John D. Weeks, and Ruhong Zhou, Dewetting and Hydrophobic Interaction in Physical and Biological Systems*, Annu. Rev. Phys. Chem. 60, 85-103 (2009). ARPC is pleased to provide you complimentary one-time access to my Annual Reviews article as a PDF file for your own personal use, but further/multiple distribution, publication, or commercial usage of this copyrighted material requires submission of a permission request addressed to the Annual Reviews Permissions Department, email permissions@AnnualReviews.org.

  332. Rual Perez-Jimenez, Jingyuan Li, Pallav Kosuri, Inmaculada Sanchez-Romero, Arun P. Wiita, David Rodriguez-Larrea, Ana Chueca, Arne Holmgren, Antonio Miranda-Vizuete, Katja Becker, Seung-Hyun Cho, Jon Beckwith, Eric Gelhaye, Jean Pierre Jacquot, Eric Gaucher, Jose M. Sanchez-Ruiz, Bruce Berne, and Julio M. Fernandez, Diversity of Chemical Mechanisms in Thioredoxin Catalysis, Nature, Structure and Molecular Biology. 16, 890-896, (2009)

  333. Lorna Dougana, Jingyuan Li, Carmen L. Badillaa, B. J. Berne, and Julio M. Fernandez, Single homopolypeptide chains collapse into mechanically rigid conformations, Proc. Nat. Acad. Sci. USA 106,12605-12610, (2009).

  334. Tom Young, Robert Abel, Lan Hua, Xuhui Huang, and Bruce J. Berne, Dewetting in the active sites of proteins, J. Phys. Chem. C, (2008). In Preparation.

  335. Ronen Zangi and Bruce J. Berne, Can Salting-In/Salting-Out Ions be Classified as Chaotropes/Kosmotropes? (2009). In preparation.

  336. Tom Young, Robert Abel, ByungChan Kim, Richard A. Friesner, and Bruce J. Berne, Solvent Chemical Potential Mapping of Complex Surfaces, (2008). In Preparation.

Books

B.J. Berne and R. Pecora, Dynamic Light Scattering, John Wiley & Sons (New York: 1976).

B.J. Berne, editor, Statistical Mechanics, Part A: Equilibrium Techniques, Plenum Press (New York: 1977).

B.J. Berne, editor, Statistical Mechanics, Part B: Time Dependent Processes, Plenum Press (New York: 1977).

Bruce J. Berne, Giovanni Ciccotti and David F. Coker, editors, Classical and Quantum Dynamics in Condensed Phase Simulation , World Scientific Publishing Co. (Singapore: 1998).

B.J. Berne and R. Pecora, Dynamic Light Scattering, Dover Publications (New York: 2000).