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Felts, Alanna
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Griesemer, Sean Darius
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Hsu, Darren Jason
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Iscen, Aysenur
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Marsden, Grant Thomas
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density functional theory
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Density functional theory
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Electronic Structure
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Computational chemistry
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Understanding Ion Surface Interactions for the Design of Next Generation Water Purific...
Interpretable Machine Learning with Applications to Computational Materials Science
Insights into Complex Reaction Processes Governing Hydrocarbon Conversion through Micr...
High Throughput Computational Materials Discovery
A Multi-Modal Investigation into Titanium Dioxide Degradation of Oil Paints: Shedding ...
Characterizing Transient Disordered Protein Structures with Time-resolved X-ray Techni...
Computational Modeling of Metal–Organic Frameworks for the Catalytic Hydrolysis of Ner...
Design of Stimuli-Responsive Bioinspired Materials using Computational Methods
Relativistic Methods for Magnetic Properties of Heavy Element Complexes