Implementation strategies in phonopy and phono3py

• Impact of Surface Modes on D 2 Scattering from Cu(111): A Time-Dependent Effective Hartree Potential Approach

  2026 The Journal of Physical Chemistry C article Physics and Astronomy Surface and Thin Film Phenomena

  0

  citations
• First-principles insights into the site occupancy of Ta–Fe–Al C14 Laves phases

  2025 Computational Materials Science article Engineering Intermetallics and Advanced Alloy Properties Open access

  2

  citations
• Electronic structure, spin-orbit interaction, and electron-phonon coupling of triangular adatom lattices on semiconductor substrates

  2025 Physical review. B./Physical review. B article Physics and Astronomy Surface and Thin Film Phenomena Open access

  3

  citations
• Reactive scattering of H2 on Cu(111) at 925 K: Effective Hartree potential vs sudden approximation

  2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K

  2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  5

  citations
• Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *

  2023 Electronic Structure article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations

6 results

• First-principles Phonon Calculations with Phonopy and Phono3py

  2022 Journal of the Physical Society of Japan article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 1 patent

  1,840

  citations

1 result