Accurate force- and Hessian predictions from neural network potentials

Kästner, Johannes (Prof. Dr.)Cooper, April Mae2020-11-032020-11-032020173762236Xhttp://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-111230http://elib.uni-stuttgart.de/handle/11682/11123http://dx.doi.org/10.18419/opus-11106eninfo:eu-repo/semantics/openAccess500540Accurate force- and Hessian predictions from neural network potentialsdoctoralThesis