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.
Electronic structure theory, Metalloenzymes, Transition metal oxides, Quantum materials
CHEM 4531 - Physical Chemistry 2
Spring 2018 / Spring 2019
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 5581 - Introductory Quantum Chemistry
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
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.