Draxl, Claudia

Reproducibility in density functional theory calculations of solids

Lejaeghere, K., Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., et al. (2016) · Science

Advanced Chemical Physics StudiesMachine Learning in Materials Science

Cited by 1,649

Big Data of Materials Science: Critical Role of the Descriptor

Ghiringhelli, L. M., Vybiral, J., Levchenko, S. V., Draxl, C., & Scheffler, M. (2015) · Physical Review Letters

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 920

The NOMAD laboratory: from data sharing to artificial intelligence

Draxl, C., & Scheffler, M. (2019) · Journal of Physics: Materials

Machine Learning in Materials ScienceResearch Data Management Practices

Cited by 388

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

Blum, V., Asahi, R., Autschbach, J., Bannwarth, C., Bihlmayer, G., Blügel, S., Burns, L. A., Crawford, T. D., Dawson, W., de Jong, W. A., et al. (2024) · Electronic Structure

Advanced Chemical Physics StudiesMachine Learning in Materials Science

Cited by 24