126 citations · 134 across the 15 of their papers we have counts for
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stat.ML2016★ 5 cited
Localized Coulomb Descriptors for the Gaussian Approximation Potential
James Barker, Johannes Bulin, Jan Hamaekers +1
We introduce a novel class of localized atomic environment representations, based upon the Coulomb matrix. By combining these functions with the Gaussian approximation potential ap…
math.NA2016
An Adaptive Multiscale Approach for Electronic Structure Methods
Sambasiva Rao Chinnamsetty, Michael Griebel, Jan Hamaekers
In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schrödinger equation for molecules. It is based on the combination of a many-body e…