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Theoretical and Computational Chemistry


Theoretical and computational approaches are being applied in areas including materials chemistry, photochemistry, biomolecules, and bioprocesses. Research directions include predicting properties of polymers and colloids, modeling proteins, nucleic acids, and cell networks, and understanding excited state molecules and materials. Work is also directed at developing new theoretical and computational methods for the study of these and other molecular systems. Strong collaborations are present with other teams at SBU, in which theory and computation are used to help interpret experimental data and make testable hypotheses.


Core Faculty

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Ken A. Dill

Distinguished Professor

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Benjamin G. Levine

IACS Endowed Professor of Chemistry

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Carlos Simmerling

Marsha Laufer Professor of Physical and Quantitative Biology