Automated exploration of the low-energy chemical space with fast quantum chemical methods

Name: Work Video:
Duration: 3 min 30 s
Description: We propose and discuss an efficient scheme for the<italic>in silico</italic>sampling for parts of the molecular low-energy chemical space by semiempirical tight-binding methods combined with a meta-dynamics driven search algorithm.
Philipp Pracht; Fabian Bohle; Stefan Grimme
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