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Heather Kulik

Multi-Objective, Machine-Learning Assisted First-Principles Design of Transition Metal Complexes for Redox Couples
Machine-learning assisted workflows for inorganic molecular discovery
Hybrid machine-learning and first-principles design for transition metal complexes
Controlling generalization errors for ML-informed molecular discovery
ML for inorganic molecular design: descriptors and similarity in transition metal chemical space
Mapping transition metal chemical space for machine learning models
Mapping transition metal chemical space with continuous descriptors - feature selection and implications for machine learning models
Describing transition metal chemical space for predictive machine learning

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