984 citations · 2.8k across the 69 of their papers we have counts for
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Spin channel induced directional dependent spin exchange interactions between divacantly substituted Fe atoms in graphene
R. Putnam, A. V. Balatsky, J. T. Haraldsen
In this study, we investigate the isolated magnetic interactions between two identical Fe atoms divacantly-substituted into graphene. Using density functional theory, we simulated…
Band gap prediction for large organic crystal structures with machine learning
Bart Olsthoorn, R. Matthias Geilhufe, Stanislav S. Borysov +1
Machine-learning models are capable of capturing the structure-property relationship from a dataset of computationally demanding ab initio calculations. Over the past two years, th…
Materials Informatics for Dark Matter Detection
R. Matthias Geilhufe, Bart Olsthoorn, Alfredo Ferella +4
Dark Matter particles are commonly assumed to be weakly interacting massive particles (WIMPs) with a mass in the GeV to TeV range. However, recent interest has shifted towards ligh…