5 citations · 6 across the 2 of their papers we have counts for
2 papers
math.NA2024★ 1 cited
On Multilevel Energy-Based Fragmentation Methods
James Barker, Michael Griebel, Jan Hamaekers
Energy-based fragmentation methods approximate the potential energy of a molecular system as a sum of contribution terms built from the energies of particular subsystems. Some such…
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…