Thermal conductivity of molecular fluids from molecular dynamics simulations: Application of a new imposed-flux method
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1312309
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1. A comparison of NEMD algorithms for thermal conductivity
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5. Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations
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