42 citations · 82 across the 3 of their papers we have counts for
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physics.comp-ph2018
Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies
Søren A. Meldgaard, Esben L. Kolsbjerg, Bjørk Hammer
We show how to speed up global optimization of molecular structures using machine learning methods. To represent the molecular structures we introduce the auto-bag feature vector t…
cond-mat.mtrl-sci2018
Size-dependent phase transitions in MoS2 nanoparticles controlled by a metal substrate
Albert Bruix, Jeppe Vang Lauritsen, Bjørk Hammer
Nanomaterials based on MoS2 are remarkably versatile; MoS2 nanoparticles are proven catalysts for processes such as hydrodesulphurization and the hydrogen evolution reaction, and t…