References 679Dellago, C., Bolhuis, P. G., and Geissler, P. L. (2002). Transition pathsampling.
Adv. Chem. Phys., 123 , 1.
Deng, Y. Q. and Roux, B. (2009). Computations of standard binding free energies
with molecular dynamics simulations.J. Phys. Chem. B, 113 , 2234.
Deutsch, J. M. and Silbey, R. (1971). Exact generalized Langevin Equation for a
particle in a harmonic lattice.Phys. Rev., 3 , 2049.
Duane, S., Kennedy, A. D., Pendleton, B. J., and Roweth, D. (1987). Hybrid Monte
Carlo.Phys. Lett. B, 195 , 216.
Edberg, R., Morriss, G. P., and Evans, D. J. (1987). Rheology of n-alkanes by nonequi-
librium molecular-dynamics.J. Chem. Phys., 86 , 4555.
Engle, R. D., Skeel, R. D., and Dress, M. (2005). Monitoring energy drift with shadow
Hamiltonians.J. Comp. Phys., 206 , 432.
Epstein, C. L. and Schotland, J. (2008). The bad truth about Laplace’s transform.
SIAM Rev., 50 , 504.
Ernst, M. H., Hague, E. H., and van Leeuwen, J. M. (1971). Asymptotic time behavior
of correlation functions 1. Kinetic terms.Phys. Rev. A, 4 , 2055.
Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., and Pedersen, L. G.
(1995). A smooth particle-mesh Ewald method.J. Chem. Phys., 103 , 8577.
Evans, D. J. and Morriss, G. P. (1980). Statistical Mechanics of Nonequilibrium
Liquids. Harcourt Brace Javanovich, London.
Evans, D. J. and Morriss, G. P. (1984). Non-Newtonian molecular dynamics.Comput.
Phys. Rep.,I, 299.
Ewald, P. P. (1921). Die Berechnung optischer und electrostatischer Gitterpotentiale.
Ann. Phys., 64 , 253.
Ezra, G. S. (2004). On the statistical mechanics of non-Hamiltonian systems: The
generalized Liouville equation, entropy, and time-dependent metrics. J. Math.
Chem., 35 , 29.
Ezra, G. S. (2007). Reversible measure-preserving integratorsfor non-Hamiltonian
systems.J. Chem. Phys., 125 , 034104.
Fanourgakis, G. S., Schenter, G. K., and Xantheas, S. S. (2006). A quantitative
account of quantum effects in liquid water.J. Chem. Phys., 125 , 141102.
Fanourgakis, G. S. and Xantheas, S. S. (2006). The flexible, polarizable thole-type
interaction potential for water (TTM2-F) revisited.J. Phys. Chem. A, 110 , 4100.
Fermi, E., Pasta, J., and Ulam, S. (1955). Studies in Nonlinear Problems. I. Los
Alamos Report,LA 1940.
Fernandez, J. M. and Li, H. (2004). Force-clamp spectroscopy minotors the folding
trajectory of a single protein.Science, 303 , 1674.
Feynman, R. P. (1948). Space-time approach to non-relativistic quantum mechanics.
Rev. Mod. Phys., 20 , 367.
Feynman, R. P. (1998). Statistical Mechanics: A Set of Lectures. Addison-Wesley,
Reading, MA.
Feynman, R. P. and Hibbs, A. R. (1965). Quantum Mechanics and Path Integrals.
McGraw-Hill, New York, NY.
Feynman, R. P. and Kleinert, H. (1986). Effective classical partition functions.Phys.
Rev. A, 34 , 5080.