(360d) Design of New Liquid Crystal-Based Systems with Improved Chemo-Responsiveness Towards the Detection of Nerve Gases
In this presentation, we will show improved models and simple descriptors, which can predict anchoring behavior and orientational transition of nematic liquid crystals in good agreement with experimental results. Exploiting the simple descriptors we have executed a high throughput screening to find liquid crystal-based systems with improved chemo-responsiveness. We show that the modeled parameters of the liquid crystal-based systems are strongly correlated with each other. Therefore it is difficult to predict new and better systems based on limited number of experiments and wide-range, extensive screening is needed for that which can only be realized efficiently using theory. We have evaluated several surprising, non-intuitive theoretical predictions, which were subsequently verified by experiments. We present liquid crystal-based systems with even an order of magnitude better chemo-responsiveness than current state-of-the-art systems. These results prove that the close integration between theory and experiments is a very promising path for expediting the design of new liquid crystal-based chemo-responsive systems.
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