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computational raman database


How to cite

If you are using data from the Computational Raman Database in your research, please cite the following work:

Bagheri, M., Komsa, HP. High-throughput computation of Raman spectra from first principles. Sci Data 10, 80 (2023).

Tools

FCDimen: Python tools for analyzing dimensionality of materials structure using force constants.

Atomate-CRD: An edited version of Atomate, which is used for creating the CRD.

ramandb: A repository contains all the versions of the database and update logs.

CoRaPy: Python tools for computational Raman studies.

About Us

Hannu-Pekka Komsa

Personal Webpage


Mohammad Bagheri

Personal Webpage


Microelectronics Research Unit

Faculty of Information Technology and Electrical Engineering

University of Oulu