First-Principles and Machine Learning Study of Anharmonic Vibration and Dielectric Properties of Materials

First-Principles and Machine Learning Study of Anharmonic Vibration and Dielectric Properties of Materials

Amano, Tomohito

Springer Nature Switzerland AG

04/2025

156

Dura

9789819640232

Pré-lançamento - envio 15 a 20 dias após a sua edição

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Chapter 1 Introduction.- Chapter 2 Density Functional Theory.- Chapter 3 Anharmonic Phonon Theory.- Chapter 4 Modern Theory and Machine Learning of Polarization.- Chapter 5 Dielectric Properties of Strongly Anharmonic TiO2.- Chapter 6 Dielectric Properties of Liquid Alcohols and Its Polymers.- Chapter 7 Conclusion.
Machine Learning in Material Computations;Phonon Anharmonicity;Dielectric Property;First Principles Calculation;Molecular Dynamics;Molecular Liquid;Insulator