Abstract
Molecular dynamics was thus born between 1956 and 1957. Berni Alder and Tom Wainwright proved the existence of a phase transition from the fluid to the solid state in a hard-sphere system.
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Notes
- 1.
J.K. Percus (ed.), The Many-Body Problem. Proceedings of the Symposium on the Many-Body Problem held at Stevens Institute of Technology, Hoboken, New Jersey, January 28–29, 1957, Interscience Publishers, New York, London 1963, p. V.
- 2.
Mac Kernan et al., Interview with Berni Alder , SIMU Newsletter no. 4, 2002, https://doi.org/10.13140/2.1.2562.7843, https://www.researchgate.net/publication/267979976_SIMU_Challenges_in_Molecular_Simulations_Bridging_the_Length-_and_Timescales_gap_Volume_4.
- 3.
G. Michael , An Interview with Berni Alder . Stories of the Development of Large Scale Scientific Computing at Lawrence Livermore National Laboratory, http://www.computer-history.info/Page1.dir/pages/Alder.html.
- 4.
B.J. Alder, In Memoriam: Thomas E. Wainwright . September 22, 1927–November 27, 2007, Progress of Theoretical Physics Supplement 178, 1, 2009.
- 5.
B.J. Alder, T.E. Wainwright , Molecular Motion, Scientific American 201, 131, 1959.
- 6.
F. Reif , Statistical Physics. Berkeley Physics Course, vol. 5, McGraw-Hill, New York, 1965, p. 7.
- 7.
B.J. Alder , T.E. Wainwright , Studies in Molecular Dynamics. I. General Method, Journal of Chemical Physics 31, 459, 1959.
- 8.
Alder interview cited in note 3, p. 4.
- 9.
J.B. Gibson, A.N. Goland, M. Milgram, and G.H. Vineyard, Dynamics of Radiation Damage, Physical Review 120, 1229, 1960.
- 10.
A. Rahman , Correlation in the Motion of Atoms in Liquid Argon, Physical Review 136, A405, 1964.
- 11.
L. Verlet , The Origins of Molecular Dynamics, in J.P. Hansen , G. Ciccotti , H.J.C. Berendsen (eds.), In Memoriam. Aneesur Rahman . 1927–1987, CECAM, Orsay 1987.
- 12.
K. Sen , S. Sastry , Aneesur Rahman . A Pioneer in Computational Physics, Resonance, August 2014, pp. 671–683.
- 13.
Quoted in K. Sen , S. Sastry , Aneesur Rahman . A Pioneer in Computational Physics, Resonance, August 2014, pp. 671–683.
- 14.
R. Kapral , G. Ciccotti , Molecular dynamics: an account of its evolution, in C. Dykstra et al., Theory and Applications of Computational Chemistry, Elsevier, 2005, pp. 425–441.
- 15.
J.A. Barker , R.O. Watts , Structure of water; A Monte Carlo calculation, Chemical Physics Letters 3, 144, 1969.
- 16.
L. Verlet , Computer “Experiments” on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules, Physical Review 159, 98, 1967.
- 17.
B.J. Alder, T.E. Wainwright , Velocity Autocorrelations for Hard Spheres, Physical Review Letters 18, 988, 1967.
- 18.
B.J. Alder , Concluding Remarks: The Long-Time Tails Story, in M. Mareschal , B.L. Holian (eds.), Microscopic Simulations of Complex Hydrodynamic Phenomena, Plenum Press, New York 1992, pp. 425–430.
- 19.
B.J. Alder, D.M. Gass, and T.E. Wainwright , Studies in Molecular Dynamics. VIII. The Transport Coefficients for a Hard‐Sphere Fluid, Journal of Chemical Physics 53, 3813, 1970.
- 20.
A. Rahman , F. Stillinger , Molecular Dynamics Study of Liquid Water, Journal of Chemical Physics 55, 3336, 1971.
- 21.
A. Geiger , The Simulation of Water and Aqueous Solutions by Aneesur Rahman , in: J.P. Hansen , G. Ciccotti e H.J.C. Berendsen , In Memoriam. Aneesur Rahman . 1927–1987, CECAM, Orsay, 1987, p. 21.
- 22.
G.D. Harp, B.J. Berne, Time-Correlation Functions, Memory Functions, and Molecular Dynamics, Physical Review A 2, 975, 1970.
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Battimelli, G., Ciccotti, G., Greco, P. (2020). The Growth of Molecular Dynamics. In: Computer Meets Theoretical Physics. The Frontiers Collection. Springer, Cham. https://doi.org/10.1007/978-3-030-39399-1_3
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