14 citations · 25 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2025★ 11 cited
Cascading symmetry constraint during machine learning-enabled structural search for sulfur induced Cu(111)- surface reconstruction
Florian Brix, Mads-Peter Verner Christiansen, Bjørk Hammer
In this work, we investigate how exploiting symmetry when creating and modifying structural models may speed up global atomistic structure optimization. We propose a search strateg…
cond-mat.mtrl-sci2024★ 14 cited
Augmentation of Universal Potentials for Broad Applications
Joe Pitfield, Florian Brix, Zeyuan Tang +4
Universal potentials open the door for DFT level calculations at a fraction of their cost. We find that for application to systems outside the scope of its training data, CHGNet\ci…