857 citations · 1.8k across the 8 of their papers we have counts for
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physics.chem-ph2018★ 79 cited
Chemical diversity in molecular orbital energy predictions with kernel ridge regression
Annika Stuke, Milica Todorović, Matthias Rupp +4
Instant machine learning predictions of molecular properties are desirable for materials design, but the predictive power of the methodology is mainly tested on well-known benchmar…
cond-mat.mtrl-sci2018★ 21 cited
Understanding doped perovskite ferroelectrics with defective dipole model
J. Liu, L. Jin, Z. Jiang +6
While doping is widely used for tuning physical properties of perovskites in experiments, it remains a challenge to exactly know how doping achieves the desired effects. Here, we p…