| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5412646 | Journal of Molecular Liquids | 2011 | 5 Pages |
Abstract
⺠Very long molecular dynamics simulations of SPC/E water. ⺠Self diffusion constant and static structure factor are calculated as a function of system size and simulation length. ⺠MSD-based calculation of the self diffusion constant is more stable. ⺠Structural quantities are the least biased ones for comparing simulation and experiment.
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Authors
Orsolya Gereben, László Pusztai,