Our research centers on developing and applying theoretical and simulation methods to investigate the classical and quantum dynamics of condensed phase systems and straddles the boundaries between physical chemistry, condensed matter physics, and quantum information. In particular, we develop and apply methods to: (1) Elucidate mechanisms and spectroscopic signatures of electrochemical reactions at novel interfaces; (2) simulate and decode nonlinear spectroscopic signatures of charge and energy transfer in nanomaterials and molecular aggregates; (3) capture the long-time conformational dynamics that encode biomolecular mechanisms; (4) characterize and exploit decoherence in near-term quantum devices; and (5) develop algorithms to capture the quantum dynamics of quantum systems interacting with complex environments on near-term quantum computers.
CHEM 4511 - Physical Chemistry 1
Primary Instructor
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Fall 2023 / Fall 2024
Chemical thermodynamics and kinetics. Includes study of laws of thermodynamics, thermochemistry, entropy, free energy, chemical potential, chemical equilibriums, and the rates and mechanisms of chemical reactions. Department enforced prereq or coreq., PHYS 1120 (minimum grade C-). Degree credit not granted for this course and BCHM 4400 and BCHM 5400.
CHEM 4555 - Theoretical and Computational Chemistry
Primary Instructor
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Spring 2021 / Spring 2022 / Spring 2023
Explores computational methods to understand chemical systems. Topics include: atomic and molecular electronic structure calculations, Monte Carlo and molecular dynamics simulations and thermodynamic calculations. Not recommended for students with a grade below B- in the prerequisite course. Same as CHEM 5555.
CHEM 5555 - Theoretical and Computational Chemistry
Primary Instructor
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Spring 2021 / Spring 2022 / Spring 2023
Explores computational methods to understand chemical systems. Topics include: atomic and molecular electronic structure calculations, Monte Carlo and molecular dynamics simulations and thermodynamic calculations. Same as CHEM 4555.
CHEM 5581 - Introductory Quantum Chemistry
Primary Instructor
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Fall 2021
Lect. Basic principles and techniques of quantum mechanics with applications to questions of chemical interest. Quantum dynamics of atoms, molecules and spin; electronic structure of atoms and molecules. Department enforced prerequisite: two semesters of physical chemistry and graduate standing or instructor consent.
CHEM 6401 - Seminar: Physical Chemistry
Primary Instructor
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Fall 2023 / Spring 2024
Student, faculty, and guest presentations of current research in physical chemistry. Discussion of research topics related to the subject of weekly physical chemistry/chemical physics seminar and appropriate journal articles.
CHEM 6901 - Research in Chemistry
Primary Instructor
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Fall 2022 / Spring 2023 / Spring 2024 / Fall 2024
May be repeated up to 15 total credit hours.
