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Keyword
- Phonon103
- Ab initio Quantum Monte Carlo1
- Debye model1
- First-principles calculation1
- Gaussian091
- High-throughput calculations1
- Li-ion battery1
- Sommerfeld model1
- TurboGenius1
- TurboRVB1
- compound semiconductor1
- energy loss function1
- first-principles calculation1
- materials informatics1
- molecules1
- optical constant1
- organic solvents1
- quantum chemistry calculations1
- quasi-harmonic vibrational contribution1
- rocksalt-AgBr1