The origin of computational statistical mechanics in France
- 24 Downloads
The two main methodologies of computational Statistical Mechanics, namely the stochastic Monte Carlo and the deterministic Molecular Dynamic methods, were developed in the USA in the mid 1950’s. In the present paper we show how these “computer experiments” migrated to Europe in the 60s, and first bloomed at the Orsay Science Faculty, before spreading throughout Europe. Collaborations between the Orsay group, led by Loup Verlet, and pioneering groups in the USA and Europe are pointed out. Finally it is shown how the celebrated Verlet algorithm for the integration of classical equations of motion can be traced back to Isaac Newton.
Unable to display preview. Download preview PDF.
- 18.Levesque D., Tu Khiet, Schiff D. and Verlet L. 1965. On the Ground State of Liquid and Solid He4 at Zero Temperature. Preprint (unpublished) Google Scholar
- 24.Newton I. 1883, Philosophiae naturalis principia mathematica. Glasguae, Impensis T.T et J. Tegg, Londini. (http://books.google.com) Google Scholar
- 26.Ornstein L.S. and Zernike F. 1914. Accidental deviations of density and opalescence at the critical point of a single substance. Royal Netherlands Academy of Arts and Sciences Proceedings 17: 793–806 Google Scholar
- 28.Principia Translation. 1934, Newton’s Principia Motte’s translation 1729 revised by Florian Cajori, University of California Press, Berkeley, Los Angeles, London, p. 40–41: For suppose the time to be divided into equal parts, and in the first part of that time let the body by its innate force describe the right line AB. In the second part of that time, the same would (by Law "i"), if not hindered, proceed directly to c, along the line Bc equal to AB; so that by the radii AS, BS, cS, drawn to the centre, the equal areas ASB, BSc, would be described. But when the body is arrived at B, suppose that a centripetal force acts at once with a great impulse, and, turning aside the body from the right line Bc, compels it afterwards to continue its motion along the right line BC. Draw cC parallel to BS meeting BC in C; andat the end of the second part of the time, the body (by Cor. "i" of the Laws) will befound in C, ... Google Scholar
- 31.Stauffer D. 1985. Introduction to Percolation Theory. Taylor and Francis, London Google Scholar
- 39.Verlet L. 1967. Computer “Experiments” on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules. Phys. Rev. 159: 98–104 Google Scholar
- 40.Verlet L. and Schiff D. 1974. Tribune libre : Faut-il continuer la recherche scientifique ? La Recherche nov. 1974: 924 Google Scholar
- 41.Verlet L. 1993. La Malle de Newton, Bibliothèque des Sciences Humaines, Gallimard, Paris. Google Scholar
- 42.Verlet L. 2007. Chimères et Paradoxes, Les Éditions du Cerf, Paris. Google Scholar
- 45.Wood W.W. and Parker F.R. 1957a. Monte Carlo Equation of State of Molecules Interacting with the Lennard-Jones Potential. I. A Supercritical Isotherm at about Twice the Critical Temperature. J. Chem. Phys. 27: 720–734 Google Scholar