From structure to Raman: an all-functionals DFT automatic workflow
Date:
Talk at NCCR Catalysis Meeting, Lausanne, Switzerland (virtual)
Talk at the NCCR Catalysis meeting, on the fully automated path from a crystal structure to its Raman spectrum.
Lorenzo Bastonero
he/him
Postdoctoral researcher in computational materials science
- Cambridge, MA, USA
- Harvard University
- Harvard SEAS
- arXiv
- Google Scholar
- ORCID
- ResearchGate
- GitHub