E-Books →First-Principles and Machine Learning Study of Anharmonic Vibration and Dielectric Properties of Materials
Published by: book79 on 15-06-2025, 16:50 | 
0
Free Download First-Principles and Machine Learning Study of Anharmonic Vibration and Dielectric Properties of Materials by Tomohito Amano
English | July 1, 2025 | ISBN: 9819640237 | 237 pages | PDF, EPUB | 41 Mb
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 with Born effective charges, is useful to study dielectric properties of crystals. The recently developed self-consistent phonon theory (SCPH) enables accurate simulations in strongly anharmonic materials. The author reveals that the combination of SCPH with the four-phonon scattering term accurately reproduces experimental spectra, and discusses how anharmonic phonon self-energies affect the dielectric properties.
The second method is molecular dynamics with Wannier centers―the mass centers of Wannier functions. The author constructs a machine learning model that learns Wannier centers for each chemical bond from atomic coordinates to accurately predict the dipole moments. The developed method is, in principle, applicable to molecules of arbitrary size. Its effectiveness is demonstrated and the dielectric properties of several alcohols, including dipole moments, dielectric constants, and absorption spectra, are analyzed. This book benefits students and researchers interested in anharmonic phonons, machine learning, and dielectric properties.
Buy Premium From My Links To Get Resumable Support,Max Speed & Support Me
Links are Interchangeable - Single Extraction
Help Us Grow – Share, Support
We need your support to keep providing high-quality content and services. Here’s how you can help:
- Share Our Website on Social Media! 📱
Spread the word by sharing our website on your social media profiles. The more people who know about us, the better we can serve you with even more premium content! - Get a Premium Filehost Account from Website! 🚀
Tired of slow download speeds and waiting times? Upgrade to a Premium Filehost Account for faster downloads and priority access. Your purchase helps us maintain the site and continue providing excellent service.
Thank you for your continued support! Together, we can grow and improve the site for everyone. 🌐
Related News
-
{related-news}
Comments (0)
Information
Users of Guests are not allowed to comment this publication.
Search
Updates
Partner
» TutBB
» Byte
» Crawli
» Warezomen
» Warez-DDL
» Raidrush
» KATZCD
» Free Ebooks Library
Your Link Here ?
(Pagerank 4 or above)
» Byte
» Crawli
» Warezomen
» Warez-DDL
» Raidrush
» KATZCD
» Free Ebooks Library
Your Link Here ?
(Pagerank 4 or above)