[S-IT22] Joint Session of Deep Earth Sciences and Innovation through the Integration with Material Sciences

[SIT22-P09] Quantum nuclear effects on vibrational spectra of high-pressure ice
studied by first-principles path-integral and Brownian-chain molecular dynamics

*Haruhiko Dekura¹, Jun Tsuchiya³, Motoyuki Shiga² (1. Geodynamics Research Center, Ehime University, 2. Japan Atomic Energy Agency, 3. The University of Osaka)

Keywords:Nuclear quantum effects, High-pressure ice, Vibrational spectra, First-principles computations