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Methoxycyclization of 1,5‐Enynes by Coinage Metal Catalysts: Is Gold Always Superior?

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Large-scale Comparison of Fe and Ru Polyolefin C–H Activation CatalystsPreprint

Adamji, H., Kevlishvili, I., Nandy, A., Román‐Leshkov, Y., & Kulik, H. J. (2023) · ChemRxiv · doi:10.26434/chemrxiv-2023-78l98 · Cited by 2 · see citing works

Machine Learning Study of Methane Activation by O‐Centered Radicals over Metal Oxide Clusters

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Computational Scaling Relationships Predict Experimental Activity and Rate Limiting Behavior in Homogenous Water OxidationPreprint

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Evolutionary Multiobjective Optimization of Multiligand Metal Complexes in Diverse and Vast Chemical SpacesPreprint

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Predicting Reactivity with Machine Learning

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Computational Methods for Training Set Selection and Error Assessment Applied to Catalyst Design: Guidelines for Deciding Which Reactions to Run First and Which to Run NextPreprint

Denmark, S. E., Zahrt, A. F., Darrow, W. T., Rose, B. T., & Henle, J. J. (2020) · ChemRxiv · doi:10.26434/chemrxiv.13239422

Computational design of transition metal catalysts for hydrodefluorination of trifluoromethylarenes using hydrosilane

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Reaction Performance Prediction and Reaction Condition Optimization

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Multiobjective Optimization of Synthetically Accessible Homogeneous Catalysts Reveals Tradeoffs for Methane-to-Methanol Conversion

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Data-driven strategies for decoding structure–reactivity relationships in porous electrocatalysis

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A Heterogeneous Nickel Catalyst for the Hydrogenolysis of Aryl Ethers without Arene Hydrogenation

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Machine Learning Studies of Organic Reactions Catalyzed by Nickel Catalysts with Nitrogen-Containing Ligands

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Multiple Mechanisms Mapped in Aryl Alkyl Ether Cleavage via Aqueous Electrocatalytic Hydrogenation over Skeletal Nickel

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