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MDSuite Theory
Physical Properties
Theoretical/Computational Concepts
Computational Topics:
Theoretical Concepts:
Fluctuation dissipation theorem
Green-Kubo Relations
Einstein Relations
Onsager coefficients and dynamics in MD Simulations
Diffusion Coefficients
Ionic Conductivity
Viscosity
Thermal conductivity
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Data structures
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Green-Kubo Relations
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Green-Kubo Relations
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