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University of Pittsburgh
Theoretical and Computational Chemistry
Welcome to the Theoretical and Computational Chemistry website at the University of Pittsburgh. We are performing cutting-edge research in various areas of chemistry and biochemistry.
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Research Groups
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Quantum chemistry methods development; photochemistry, photocatalysis, electrocatalysis
Biomolecular simulation; rare-event sampling
Ion transport in biological ion channels
Electronic materials; cheminformatics
Quantum chemistry methods development; photochemistry, photocatalysis, electrocatalysis
Organic and organometallic reaction mechanisms; catalysis
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