Proceedings of the 12th Asia Pacific Physics Conference (APPC12) 2014
DOI: 10.7566/jpscp.1.016009
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Entropy and Heat Capacity Calculations by Thermodynamic Approach

Abstract: Entropy and heat capacity calculations in molecular dynamics simulation from change of heat is proposed. This method is possible due to the structure of the Hamiltonian solved by explicit symplectic integrator.

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