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QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO.
Nguyen Tuan Hung
Jianqi Huang
Yuki Tatsumi
Teng Yang
Riichiro Saito
Published in:
Comput. Phys. Commun. (2024)
Keyphrases
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open source
raman spectra
open source software
source code
probabilistic neural networks
feature selection
case study
quantum computing
quantum computation