Theoretical Chemistry Faculty


Core Faculty

» These faculty have primary appointments in the chemistry department.

Ignacio Franco

Assistant Professor


Physical and Theoretical Chemistry

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The Franco Group

Oleg V. Prezhdo

Professor of Chemistry, Physics


Theory and modeling of quantum-classical dynamics of condensed phase chemical, physical and biological systems

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The Prezhdo Group

Wolf-Udo Schröder

Professor of Chemistry and Physics


Dynamics of Complex Nuclear Reactions

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The Schröder Group

Biological Chemistry Cluster Faculty

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

Alan Grossfield

Assistant Professor of Biochemistry and Biophysics


Investigating membranes and membrane proteins via computer simulation

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The Grossfield Group

David H. Mathews

Associate Professor of Biochemistry and Biophysics


Predicting RNA Secondary Structure

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The Mathews Group

Research Professors

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

Esther M. Conwell

Research Professor


Electrical and Optical Properties of Organic Semiconductors

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Brendan Mort

Director of the Center for Integrated Research and Computing and Research Assistant Professor


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.

John R. Huizenga

Tracy H. Harris Professor Emeritus of Chemistry and Physics


Complex Nuclear Fission Processes and Nuclear Properties of Actinide Nuclei

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William H. Saunders, Jr.

Professor Emeritus of Chemistry


Ab Initio and Valence Bond Calculations of Proton Transfer and Elimination Reactions

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