Enhancements to Tinker software enable viscosity calculations in liquids, confirming accuracy in ethanol and isopropanol.
We present enhancements to Tinker8, Tinker25, and Tinker-HP that provide user- facing options for stress tensor output. This enables viscosity calculations for condensed phase systems modeled with AMOEBA polarizable force field. We validate this implementation by calculating viscosity for ethanol, isopropanol, and water using the Green-Kubo relation. Our results confirm the accuracy of our implementation and suggest that AMOEBA may benefit from parameter tuning for improved experimental agreement.
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Relix et al. (2025) studied this question.
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