13 citations · 18 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 5 cited
Accelerating structure search using atomistic graph-based classifiers
Andreas Møller Slavensky, Bjørk Hammer
We introduce an atomistic classifier based on a combination of spectral graph theory and a Voronoi tessellation method. This classifier allows for the discrimination between struct…
physics.chem-ph2024★ 13 cited
Generating candidates in global optimization algorithms using complementary energy landscapes
Andreas Møller Slavensky, Mads-Peter V. Christensen, Bjørk Hammer
Global optimization of atomistic structure rely on the generation of new candidate structures in order to drive the exploration of the potential energy surface (PES) in search for…