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Theoretical Chemistry Faculty

  • Core Faculty
  • Cluster Affiliated Faculty
  • Research Professors
  • Instructional Faculty
  • Emeritus Faculty
  • Core Faculty

    These faculty have primary appointments in the Chemistry Department.


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    Franco, Ignacio

    • Assistant Professor of Chemistry and Physics

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    Interests: Physical and Theoretical Chemistry

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    Huo, Pengfei

    • Assistant Professor of Chemistry

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    Interests: Physical and theoretical chemistry; ab-initio dynamics for understanding chemistry; photo physics of solar energy conversion

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    Schröder, Wolf-Udo

    • Professor of Chemistry
      Professor of Physics

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    Interests: Dynamics of Complex Nuclear Reactions at intermediate and high energies

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    Cluster Affiliated Faculty

    Faculty in the Clusters have primary appointments in other departments but can mentor Chemistry graduate students.


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    Grossfield, Alan M.

    • Associate Professor Biochemistry and Biophysics

    Interests: Investigating membranes and membrane proteins via computer simulation

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    Mathews, David H.

    • Associate Professor of Biochemistry and Biophysics
      Associate Professor of Biostatistics and Computational Biology

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    Interests: Computational biology of RNA, including structure prediction, molecular dynamics, and genomics

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    Research Professors

    Research professors do not accept graduate students, but have active research programs within the department.


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    Mort, Brendan

    • Assistant Professor of Chemistry, Research
    • Director of the Center for Integrated Research and Computing

    Interests: High performance computing; application of computing technology to chemistry and biology; computational chemistry algorithm development; molecular dynamics simulations, electronic structure theory

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    Emeritus Faculty

    Emeritus faculty no longer teach courses or graduate students, but many are still active contributors to the intellectual life of the department, serving as co-advisors, mentors, and running research programs.


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    Saunders, William H., Jr.

    • Professor Emeritus of Chemistry

    Interests: Physical organic chemistry: mechanisms of elimination reactions; isotope effects and isotopic tracers in the study of organic reaction mechanisms; proton transfers; ab initio and vbscf calculations

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