Symmetry- and gradient-enhanced Gaussian process regression for the active learning of potential energy surfaces in porous materials

Johannes K. Krondorfer, Christian W. Binder, Andreas W. Hauser

Research output: Contribution to journal › Article › peer-review

Fingerprint

Dive into the research topics of 'Symmetry- and gradient-enhanced Gaussian process regression for the active learning of potential energy surfaces in porous materials'. Together they form a unique fingerprint.

Chemical Engineering

Material Science

Engineering