Theoretical and Computational Faculty
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- Robert I. Cukier
- Theory and Computation of Protein Structure Function Relations
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- Katharine C. Hunt
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Quantum Theory
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- Benjamin G. Levine
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Modeling Excited Molecules and Materials
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- Piotr Piecuch
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Quantum Chemistry and Physics
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- Angela K. Wilson
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Physical, Theoretical, and Computational Chemistry
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- Paul Hunt
- Nonequilibrium Thermodynamics/Molecular Scattering
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- James E. (Ned) Jackson
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Mechanism and Design in Green and Organic Materials Chemistry
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- Kenneth Merz
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Computational Approaches to Biomolecular Systems