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Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning

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Practical Aspects of Free-Energy Calculations: A Review

Machine Learning for Catalysis Informatics: Recent Applications and Prospects

Capturing Chemistry in Action with Electrons: Realization of Atomically Resolved Reaction Dynamics

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29th Annual Computational Neuroscience Meeting: CNS*2020, BMC Neuroscience

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Gibbsite (100) and Kaolinite (100) Sorption of Cadmium(II): A Density Functional Theory and XANES Study of Structures and Energies

2021 ASPENCORE World Electronics Achievement Awards

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Machine Learning for Catalysis Informatics: Recent Applications and Prospects