High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics

Eric Cancès1, François Castella, Philippe Chartier

  • 1CERMICS, Ecole Nationale des Ponts et Chaussées, 6 et 8 avenue Blaise Pascal, Cité Descartes, 77455 Marne-la-Vallée Cedex 2, France. cances@cermics.enpc.fr

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