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
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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.
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Machine Learning in Material Computations;Phonon Anharmonicity;Dielectric Property;First Principles Calculation;Molecular Dynamics;Molecular Liquid;Insulator
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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.