Many of these books are in the library, but there several newer books not on the list.
General Books
R. LeSar, Introduction to computational materials science: fundamentals to applications, 620.110285L56i TEXT FOR CLASS
* D. Frenkel and B. Smit, " Understanding Molecular Simulation," second edition, Academic Press
*M. P. Allen and D. J. Tildesley, "Computer Simulation of Liquids," Oxford Science, 1987. A general introduction to computer simulation.
*J. M. Haile, "Molecular Dynamics Simulation", 1992, Wiley. A textbook on elementary molecular dynamics simulation methods.
*M.H. Kalos and P.A. Whitlock, "Monte Carlo Methods, Vol I", Wiley, 1986. Probability, Sampling, Tricks, Metropolis, Green's Function Monte Carlo.
*J.M. Hammersley and D.C. Handscomb, "Monte Carlo Methods", Chapman and Hall, 1964. Classic mongram on basic Monte Carlo methods.
R. Y. Rubinstein "Simulation and the Monte Carlo Method" covers basic material on random number generation, sampling of special functions, Monte Carlo tricks, Markov chains and simulated annealing.
*S. E. Koonin "Computational Physics" Addison-Wesley, (1986). general computational methods and brief introduction to classical and quantum simulations.
J. M. Thuijssen, Computational Physics, Cambridge, 1999. Topics in Computational physics including several chapters on quantum systems.
*D. P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, Cambridge, 2000.
D. Knuth "The Art of Computer Programming Vol II, Seminumerical Algorithms", Addison-Wesley, 1981. A long discussion of random number generation. pgs 1-170.
* W. H. Press, B. P. Flannery, S. A. Teukolsky, W. T. Vetterling , "Numerical Recipes, the Art of Scientific Computing, Cambridge, 1989.
M. Abramowitz and I. A. Stegun, "Handbook of Mathematical Functions", 1972, Dover. This standard reference to special functions also includes methods for computing special functions, a brief review of probability theory and random number generation.
*H. Gould and J. Tobochnik, "Computer Simulation Methods Applications to Physical Systems. Vols.1 and 2", Addison Wesley, 1988." Molecular Dynamics, Percolation, Chaos, Monte Carlo, Fractals, Ising Models.
D. Chandler "Introduction to Modern Statistical Mechanics" Oxford,1987. Thermodynamics, Equilibria, Ensembles, Phase Transitions, Monte Carlo, Classical Fluids, Non-equilibrium systems.
R. P. Feynman "Statistical Mechanics" Addison-Wesley, 1972. general statistical mechanics, path integrals, density matrices, superfluidity.
*J. P. Hansen and I. R. McDonald, "Theory of Simple Liquids", Academic Press, 1986, 2nd edition. General introduction on the theory of liquids. Molecular Dynamics and Monte Carlo, correlation functions, integral equations.
*R. W. Hockney and J. W. Eastwood, "Computer Simulation Using Particles", 1981 , McGraw Hill. (530.0724 H659c). Detailed book on application of MD simulation of charged systems, particularly using the Particle Mesh method. Describes plasma simulations, semiconductor device modeling, galaxy evolution and classical charged liquids.
More Specialized books on the simulations of Classical Systems
G. Ciccotti, D. Frenkel and I. R. McDonald "Simulation of Liquids and Solids" North Holland, 1987. Reprint collection containing 50 key papers on computer simulation of liquids and solids with brief comments
Proceedings of the Fermi School XCVII Molecular Dynamics Simulation of Statistical Mechanical Systems" ,ed. G. Ciccotti and W. G. Hoover, North Holland, 1986. Contains individual articles on the history of simulation, chaos, algorithms, charged systems, free energy methods, non-traditional ensembles, calculations of transport properties, simulations of molecular systems, liquid helium and lattice gauge theory.
"Computer Simulation in Materials Science, Interatomic Potentials, Simulation Techaniques and Applications," Edited by M. Meyer and V. Pontikis, Kluwer 1991. Conference with introduction to MD, MC, Free energy, interatomic potentials, ab-initio simulations.
W. G. Hoover, "Computational Statistical Mechanics", Elsevier, 1991 (530.13 H769c). A textbook covering statistical mechanics, molecular dynamics, hydrodynamics and non-equilibrium molecular dynamics.
W. G. Hoover, "Molecular Dynamics", Springer-Verlag,1986. (530 L493 v. 258). A short monograph on classical molecular dynamics, the connection to statistical mechanics and non-equilibrium techniques.
D. Nicholson and N. G. Parsonage, "Computer Simulations and the Statistical Mechanics of Adsorption", Academic Press, 1982. (541.3453 N521c) Describes theory of adsoption on surfaces, intermolecular forces, Monte Carlo methods including special ensembles for surfaces, integral equations and physical phenomena on surfaces.
"Computer Simulation of Solids", ed. C. Catlow and W. Mackrodt, 1982, Springer-Verlag (530 L493 v. 166). Proceedings of a conference held in Daresbury England in 1980 on computational solid state physics and chemistry. Covers such topics at defect energies, and structure, interatomic potentials for solids, disordered solids, fast ionic conductors etc.
O. G. Mouritsen, "Computer Studies of Phase Transitions and Critical Phenomena", 1984, Springer-Verlag (530.130285 M866c). Short (200pgs.) on Monte Carlo methods for lattice models, particularly focussing on critical behavior. Also discusses exact methods such as series expansions. Models discussed are Ising, Heisenberg, lipid bilayers, adsorbed monolayers, magnetic models for dipolar systems and kinetic models.
J. N. Murrell, S. Carter, S. C. Farantos, P. Huxley and A. J. C. Varandas, "Molecular potential energy functions", 1984, Wiley (541.22 M7324). Monograph (197 pgs) on the potential energy function of small molecules. Contains an index of 3 and 4 atom molecules.
*J. M. Haile, "Molecular Dynamics Simulation", 1992, Wiley (532.05 ?) A textbook on elementary molecular dynamics simulation methods.
"Monte Carlo and Molecular Dynamics of Condensed Matter Systems", ed. K. Binder and G. Ciccotti, Editrice Compositori, Bologna, Italy (1996). (957 pages). Contains a good review of classical simulation methods (MD, MC, phase transitions, lattice models, polymers, and some quantum methods.)
Specialized Books on the applications Monte Carlo methods in physics:
"Monte Carlo Methods in Statistical Physics", ed. K. Binder, Springer- Verlag 1979. Review articles on a variety of applications of Monte Carlo.
"Applications of the Monte Carlo Methods in Statistical Physics", ed. K. Binder, Springer-Verlag 1984. Review articles on a variety of applications of Monte Carlo including polymers, glasses
"The Monte Carlo Methods in Condensed Matter Physics", ed. K. Binder, Springer-Verlag 1992. Review articles on a variety of applications of Monte Carlo including vectorization, cluster algorithms, classical fluids, macromolecules, cellar automata, interfaces and spin glasses.
"Applications of the Monte Carlo Methods in Statistical Physics", ed. K. Binder, Springer-Verlag 1987. Review type articles on a variety of applications of Monte Carlo including Green's Function Monte Carlo.
Quantum Simulations:
"Quantum Simulations of Condensed Matter Phenomena" World Scientific, 1990 eds. J. D. Doll and J. E. Gubernatis. Conference proceedings with reports on a variety of quantum Monte Carlo methods.
Journal of Statistical Physics 43, 729-1244 (1986). Conference proceedings of Quantum Monte Carlo. ed. J. E. Gubernatis
"Monte Carlo Methods in Quantum Problems" Ed. M. H. Kalos Reidel, 1984. Conference proceedings with early applications of lattice Monte Carlo to lattice gauge theory and magnetic models.
M. Creutz "Quarks, gluons and lattices", Cambridge 1983. An early review of lattice gauge techniques and computational methods.
B. L. Hammond, W. A. Lester, Jr. and P. J. Reynolds, "Monte Carlo Methods in Ab Intio Quantum Chemistry" World Scientific, 1994. (541.28015192) Detailed description of variational and diffusion Monte Carlo applied to small molecules.
Quantum Simulations of Complex Many-Body Systems: from Theory to Algorithms, Ed. Grotendorst, Marx and Muramatsu, NIC, Julich, 2002, Up to date review of quantum Monte Carlo, MD and DFT methods. summer school proceedings.