Quantum simulation methods based on electronic-structure theory are deemed unfit to cope with atomic heat transport within the Green–Kubo formalism, because quantum-mechanical energy densities and ...
The general reverse diffusion equations are derived and applied to the problem of transition density estimation of diffusion processes between two fixed states. For this problem we propose density ...
A study on predicting acid-gas densities for the pressure and temperature ranges relevant to acid-gas injection schemes found that only one common equation of state gave unsatisfactory results.
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