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15.3 MB
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B8CCC1F515971BE704B0D90300E8BD6419D18D66
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June 25, 2025, 2:22 p.m.
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(Last updated: June 25, 2025, 2:23 p.m.)
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| ['Amano T. First-Principles and ML Learning Study of Anharmonic Vibration...2025.pdf'] | 0 bytes |
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15.3 MB
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2025-06-25
| Uploaded by andryold1 | Size 15.3 MB | Health [ 23 /35 ] | Added 2025-06-25 |
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SOURCE: Amano T. First-Principles and ML Learning Study of Anharmonic Vibration...2025
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COVER
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MEDIAINFO
Textbook in PDF format 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
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