Fig. 6: Free energy surface (FES) of 5CB in a hybrid anchoring slab with SDS and water. | npj Computational Materials

Fig. 6: Free energy surface (FES) of 5CB in a hybrid anchoring slab with SDS and water.

From: PySAGES: flexible, advanced sampling methods accelerated with GPUs

Fig. 6: Free energy surface (FES) of 5CB in a hybrid anchoring slab with SDS and water.The alternative text for this image may have been generated using AI.

Center: Snapshot of the system a FES of 5CB molecule near the water--SDS interface. b FES of 5CB near a pure water interface. Both FES were obtained with PySAGES and OpenMM using the FUNN method.

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