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Philipp Marienhagen

Development of optimised algorithms to calculate equation-of-state data in many-particle systems consisting of hard, anisotropic particles

Universität Rostock, 2022

Abstract: In this work, equations of state of hard, anisotropic particles are studied employing the complementary methods of virial theory and Monte Carlo simulations. To calculate higher-order virial coefficients, an algorithm is developed and optimised for hard particles. Using this algorithm, virial coefficients of hard lenses and hard, oblate ellipsoids of revolution are calculated. The method is extended to the 4D space. The development of a cluster Monte Carlo algorithm gives access to precise equation-of-state data, which is compared to the virial series.

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