A list of books and papers about Molecualr Dynamics
BIBLIOGRAPHY
An introductory discussion is in G. H. Grant, W. G. Richards, Computational Chemistry Oxford, Oxford (1995).
Books with more detailed treatments are P. B. Balbuena, J. M. Seminario, Molecular Dynamics Elsevier, Amsterdam (1999).
G. D. Billing, K. V. Mikkelsen, Advanced Molecular Dynamics
and Chemical Kinetics John Wiley & Sons, New York (1997).
D. C. Rapaport, The Art of Molecular Simulation Cambridge, Cambridge (1997).
J. M. M. Haile, Molecular Dynamics Simulation: Elementary Methods John Wiley & Sons, New York (1997).
D. Frenkel, B. Smit, Understanding Molecular Simulation Academic Press, San Diego (1996).
A. R. Leach, Molecular Modeling Principles and Applications Longman, Essex (1996).
M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids Oxford, Oxford (1987).
J. A. McCammon, S. C. Harvey, Dynamics of Proteins and Nucleic Acids Cambridge University Press, Cambridge (1987).
M. H. Kalos, P. A. Whitlock, Monte Carlo Methods, Volume I: Basics John Wiley & Sons, New York (1986).
D. A. McQuarrie, Statistical Mechanics Harper Collins, New York (1976).
Molecular dynamics review articles are D. L. Beveridge, Encycl. Comput. Chem. 3, 1620 (1998).
P. Au??nger, E. Westhof, Encycl. Comput. Chem. 3, 1628 (1998).
H. J. C. Berendsen, D. P. Tielemen, Encycl. Comput. Chem. 3, 1639 (1998).
L. Pedersen, T. Darden, Encycl. Comput. Chem. 3, 1650 (1998). S. Profeta, Jr., Kirk-Othmer Encyclopedia of Chemical Technology Supplement J. I. Kroschwitz 315, John Wiley & Sons, New York (1998).
R. A. Marcus, Adv. Chem. Phys. 101, 391 (1997).
R. M. Whitnell, K. B. Wilson, Rev. Comput. Chem. 4, 67 (1993).
BIBLIOGRAPHY An introductory discussion is in G. H. Grant, W. G. Richards, Computational Chemistry Oxford, Oxford (1995).
Books with more detailed treatments are P. B. Balbuena, J. M. Seminario, Molecular Dynamics Elsevier, Amsterdam (1999).
G. D. Billing, K. V. Mikkelsen, Advanced Molecular Dynamics and Chemical Kinetics John Wiley & Sons, New York (1997).
D. C. Rapaport, The Art of Molecular Simulation Cambridge, Cambridge (1997). J. M. M.
Haile, Molecular Dynamics Simulation: Elementary Methods John Wiley & Sons, New York (1997).
D. Frenkel, B. Smit, Understanding Molecular Simulation Academic Press, San Diego (1996).
A. R. Leach, Molecular Modeling Principles and Applications Longman, Essex (1996).
M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids Oxford, Oxford (1987).
J. A. McCammon, S. C. Harvey, Dynamics of Proteins and Nucleic Acids Cambridge University Press, Cambridge (1987).
M. H. Kalos, P. A. Whitlock, Monte Carlo Methods, Volume I: Basics John Wiley & Sons, New York (1986).
D. A. McQuarrie, Statistical Mechanics Harper Collins, New York (1976).
Molecular dynamics review articles are D. L. Beveridge, Encycl. Comput. Chem. 3, 1620 (1998). P. Au??nger, E. Westhof, Encycl. Comput. Chem. 3, 1628 (1998).
H. J. C. Berendsen, D. P. Tielemen, Encycl. Comput. Chem. 3, 1639 (1998).
L. Pedersen, T. Darden, Encycl. Comput. Chem. 3, 1650 (1998).
S. Profeta, Jr., Kirk-Othmer Encyclopedia of Chemical Technology
Supplement J. I. Kroschwitz 315, John Wiley & Sons, New York (1998).
R. A. Marcus, Adv. Chem. Phys. 101, 391 (1997).
R. M. Whitnell, K. B. Wilson, Rev. Comput. Chem. 4, 67 (1993).
R. T. Skodje, Ann. Rev. Phys. Chem. 44, 145 (1993). J. N. Murrell, S. D. Bosanac, Chem. Soc. Rev. 21, 17 (1992).
W. F. van Gunsteren, H. J. C. Berendsen, Angew. Chem. Int. Ed. Eng. 29, 992 (1990).
W. W. Evans, G. J. Evans, Adv. Chem. Phys. 63, 377 (1985).
D. Fincham, D. M. Heyes, Adv. Chem. Phys. 63, 493 (1985).
J. N. L. Conner, Chem. Soc. Rev. 5, 125 (1976).
Simulating liquids is reviewed in
B. M. Ladanyi, M. S. Skaf, Ann. Rev. Phys. Chem. 44, 335 (1993).
I. Ohmine, T. Tanaka, Chem. Rev. 93, 2545 (1993).
J.-J. Barrat, M. L. Klein, Ann. Rev. Phys. Chem. 42, 23 (1991).
Using Monte Carlo to simulate liquids is reviewed in B. Smit, Encycl. Comput. Chem. 3, 1743 (1998).
W. L. Jorgensen, Encycl. Comput. Chem. 3, 1754 (1998).
Monte Carlo methods are reviewed in J. J. de Pablo, F. A.
Escobedo, Encycl. Comput. Chem. 3, 1763 (1998).
Molecular dynamics with quantum mechanical methods is reviewed in M. E. Tuckerman, P. J. Ungar, T. von Rosenvivge, M. L. Klein, J. Phys. Chem. 100, 12878 (1996).
E. Clementi, G. Corongiu, D. Bahattacharya, B. Feuston, D. Frye, A. Preiskorn, A. Rizzo, W. Xue, Chem. Rev. 91, 679 (1991).
Other reviews are B. J. Berne, Encycl. Comput. Chem. 3, 1614 (1998).
H. C. Kang, W. H. Weinberg, Chem. Rev. 95, 667 (1995).
R. Parthasarathy, K. J. Rao, C. N. R. Rao, Chem. Soc. Rev. 12, 361 (1983).
D. Frenkel, J. P. McTague, Ann. Rev. Phys. Chem. 31, 419 (1980).
W. W. Wood, J. J. Erpenbeck, Ann. Rev. Phys. Chem. 27, 319 (1976).
W. G. Hoover, W. T. Ashurst, Theoretical Chemistry Advances and Perspectives 1, 2, Academic Press, New York (1975).
P. A. Egelsta??, Ann. Rev. Phys. Chem. 24, 159 (1973).
J. A. Barker, D. Henderson, Ann. Rev. Phys. Chem. 23, 439 (1972).
The original Monte Carlo paper is N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, E. Teller, J. Chem. Phys. 21, 1087 (1953).
