Jonny Proppe

PhD thesis 2020, M. Reiher group

"Computational Systems Chemistry with Rigorous Uncertainty Quantification"

Jonny Proppe is awarded the IBM Research Forschungspreis for introducing rigorous uncertainty quantification into first-principles-based computational systems chemistry. His work combines in a novel and innovative way the quantification of uncertainty for quantum chemical observables and its propagation to model complex chemical processes from first principles.

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