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Published online by Cambridge University Press: 21 July 2022
This chapter provides a state-of-the-art summary of atomistic simulations illustrating their ability to predict, often within experimental error, physical properties, morphologies and phase transition temperatures for low-molar-mass thermotropics, like the cyano-biphenyls so commonly used in experiment. An illustration of current achievements for various thermotropic liquid crystals (based on rod-like and disc-like mesogens) is given. Selected results for phospholipid based lyotropics (micelles and membranes) are also shown.
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