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Barona, Melissa
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Brod, Madison K
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Hua, Xia
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Ishwar Hegde, Vinay
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Marsden, Grant Thomas
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density functional theory
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OQMD
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SrTiO3
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active site proximity
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band engineering
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Chemical engineering
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Insights into Complex Reaction Processes Governing Hydrocarbon Conversion through Micr...
Chemical Trends in Complex Electronic Structures of Thermoelectric Semiconductors
First-Principles Study of Thermodynamics in Thermoelectric Materials
Data-Driven High-Throughput Materials Discovery and Knowledge Extraction
Understanding the Reactivity and Tunability of MOF-Supported Cluster Catalysts and MOF...
Computational Modeling of Metal–Organic Frameworks for the Catalytic Hydrolysis of Ner...
Understanding Atomic Structure and Structural Evolution of Perovskite Oxides at the 2-...