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Dissertation
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Antoine Alexandre Emery
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Griesemer, Sean Darius
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Rosen, Andrew Scott
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Shin, Yongjin
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Zhengpeng Yao
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Density functional theory
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Materials discovery
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Condensed matter physics
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Materials Science
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Materials Science and Engineering
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High Throughput Computational Materials Discovery
Quantum-Chemical Screening of Redox-Active Metal–Organic Frameworks
Deliberate Deficiencies: Expanding Function with Structural Vacancy Order
Towards Understanding and Designing of Advanced Li-ion Batteries from First-principles
Materials Discovery for Water Splitting Applications Using First-Principles Calculatio...