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

The book presents the author's development of two first-principles methods to calculate dielectric properties of materials based on anharmonic phonon and machine learning, and demonstrates an in-depth analysis of anharmonic crystals and molecular liquids. The anharmonic phonon method, combined...

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Bibliografske podrobnosti
Glavni avtor: Amano, Tomohito (Author)
Korporativna značnica: SpringerLink (Online service)
Format: Elektronski eKnjiga
Jezik:angleščina
Izdano: Singapore : Springer Nature Singapore : Imprint: Springer, 2025.
Izdaja:1st ed. 2025.
Serija:Springer Theses, Recognizing Outstanding Ph.D. Research,
Teme:
Mathematical physics.
Computer simulation.
Machine learning.
Semiconductors.
Condensed matter.
Materials science > Data processing.
Electronic structure.
Quantum chemistry > Computer programs.
Computational Physics and Simulations.
Machine Learning.
Condensed Matter Physics.
Condensed Matter.
Electronic Structure Calculations.
Online dostop:https://doi.org/10.1007/978-981-96-4024-9
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Kazalo:
  • 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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