Scheffler, Matthias

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Tkatchenko, A., & Scheffler, M. (2009) · Physical Review Letters

Advanced Chemical Physics StudiesAdvanced Physical and Chemical Molecular Interactions

Cited by 6,286

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

Accurate and Efficient Method for Many-Body van der Waals Interactions

Tkatchenko, A., DiStasio, R. A., Car, R., & Scheffler, M. (2012) · Physical Review Letters

Advanced Chemical Physics StudiesAdvanced Physical and Chemical Molecular Interactions

Cited by 1,528

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

Analysis of separable potentials

Gonze, X., Stumpf, R., & Scheffler, M. (1991) · Physical Review B

Advanced Chemical Physics StudiesThermodynamic and Structural Properties of Metals and Alloys

Cited by 605

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

AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis

Oses, C., Gossett, E., Hicks, D., Rose, F., Mehl, M. J., Perim, E., Takeuchi, I., Sanvito, S., Scheffler, M., Lederer, Y., et al. (2018) · Journal of Chemical Information and Modeling

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 108