Future directions in theoretical and computational spectroscopy of liquid crystals

Abstract

Liquid crystals have unique optical properties and molecular arrangements, making them suitable for applications involving photonics, display technology, and sensors. Thus, computational spectroscopy has become an important method for understanding the molecular interactions that contribute to the electrical and vibrational properties of both inorganic and organic LCs. Therefore, the current book presents advances in YH computational modelling, while also identifying and discussing challenges with computational methods. At the same time, the book discusses how high-throughput computational frameworks, hybrid quantum-classical methods, and machine learning help to predict and account for the spectroscopic properties of future generations of liquid crystalline materials with defined attributes. Ultimately, this discussion was created to assist in directing future efforts toward developing liquid crystalline materials with specified properties.