raman-spectrum
There are 0 repository under raman-spectrum topic.
- ramannoodle
wolearyc / ramannoodle
Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and ML/AI.
density-functional-theorymolecular-dynamicsphononsphonopyraman-cross-sectionraman-spectraraman-spectroscopyvaspvasp-calculationsvasp-processingvibrational-analysisgraph-neural-networksmachine-learningmolecular-dynamics-analysismolecular-dynamics-trajectoriespolarizabilityramanraman-spectrumspectroscopypythonLanguage:Python 7