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Joel M. Bowman, Emory University
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Develop multireference quantum embedding theories for chemical applications
Exploring Methods of Extraction of Cluster Free Energy from Small-N Molecular Dynamics...
Vibrational Dynamics of Hydrated Proton based on High-level Ab Initio Potential Energy...
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Year
Summer 2019
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Summer 2021
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Summer 2022
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School
Laney Graduate School
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Department / Specialty
Chemistry
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Ph.D.
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Submission Type
Dissertation
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Chemistry, Physical
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Chemistry, Molecular
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Committee
James T. Kindt, Emory University
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Joel M. Bowman, Emory University
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Francesco A. Evangelista, Emory University
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Francesco Evangelista, Emory University
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Electronic structure
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Embedding theory
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Hydrated Proton, Potential Energy Surface, Vibrational Spectroscopy, Proton Transfer
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Multireference theory
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PEACH method
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