The aim of our research is to invent techniques that will enable us to elucidate the electronic structure of transition metal containing materials with partially filled d/f orbitals in the presence of strong non-adiabaticity and environmental fluctuations. Our work attempts to provide a molecular level understanding of phenomena that are of critical importance in heterogeneous catalysis, multiferroics for electronics, superconductivity and are even relevant in biology for bird navigation via magnetoreceptors and enzyme catalyzed redox reaction of small molecules.
keywords
Electronic structure theory, Metalloenzymes, Transition metal oxides, Quantum materials
CHEM 4511 - Physical Chemistry 1
Primary Instructor
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Fall 2020 / Fall 2021
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 4531 - Physical Chemistry 2
Primary Instructor
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Spring 2018 / Spring 2019 / Spring 2021
Lect. Introduces the quantum theory of atoms, molecules and chemical bonding, and statistical thermodynamics. Includes principles of quantum mechanics and their application to atomic structure, molecular spectroscopy, symmetry properties, and the determination of molecular structure. Also includes principles of statistical mechanics and their applications to properties of gases, liquids, and solids.
CHEM 5501 - Advanced Topics in Physical Chemistry
Primary Instructor
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Fall 2022 / Fall 2024
Covers various topics in physical chemistry focusing on their mathematical and physical background. Topics include the application of classical mechanics and electrodynamics in chemistry, the classical mechanics background for the description of atoms and molecules, the use of vector spaces in wave mechanics and quantum mechanics and the classical description of spectroscopy in terms of interaction of light and matter. Department enforced prerequisites: undergraduate physical chemistry, graduate standing or instructor consent.
CHEM 5531 - Statistical Mechanics
Primary Instructor
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Spring 2022 / Spring 2024
Lect. Fundamental concepts of quantum and classical statistical mechanics. Applications to properties ofgases, liquids, solids, spin and polymer systems. Reaction, fluctuation, nucleation and relaxation phenomena. Department enforced prerequisite: undergraduate physical chemistry.
CHEM 5581 - Introductory Quantum Chemistry
Primary Instructor
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Fall 2019
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 2019 / Spring 2020
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 2018 / Spring 2019 / Fall 2020 / Spring 2021 / Fall 2022 / Spring 2023
May be repeated up to 15 total credit hours.
