Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'

Res., 1998, 37, 8, 3331) and the Reith-Müller-Plathe model (J. Chem. Phys., 2000, 112, 5, 2436). Finally, all data from the present study are provided, where as much of the raw data of the NEMD simulations are provided as reasonably possible (e.g., trajectory files could not be included due to memory constraints, but temperature profiles and mole fraction profiles are provided in tar archives).

Note that each directory of this dataset contains a README.txt to outline the content found in the directory and, possibly, its subdirectories. The general directory structure is as follows: | |- code | | | |- nemd | | | |- reith | | | '- shukla | '- data | | | |- emd | | | |- nemd | | | |- reith | | | '- shukla | '- movie | '- nemd