Overview
This REU site brings together eleven faculty researchers in catalysis and molecular dynamics. Research projects in catalysis are in the areas of methods development, catalyst development and testing, and synthetic applications. There are also projects available in theory and molecular dynamics. All faculty mentors will develop projects based on interest and research background of the REU students as necessary. Representative examples are included in this section.
Catalysis
Methods Development
- Marisa Kozlowski – Development of oxidative reactions for the generation of C-C, C-O, and C-N bonds
- Neil Tomson – Effects of molecular-scale electrostatic fields on electronic structure and reactivity for the application in bioinorganic chemistry and homogeneous catalysis
Catalyst Development
- Karen Goldberg – Tandem catalytic systems for the selective deoxygenation of polyols
- Daniel Mindiola – High-throughput screening of natural and shale gas functionalization catalysts
- Neil Tomson – Effects of molecular-scale electrostatic fields on electronic structure and reactivity for the application in bioinorganic chemistry and homogeneous catalysis
- Eric Schelter – Chemistries and electronic structure effects of the lanthanides, uranium and main group elements
Synthetic Applications
- Patrick Walsh – Engineering stable glass bilayers using surface-mediated equilibrium: trisarylbenzene glass formers with fluorinated tails
- Monica McCallum – Understanding the biological chemistry that produces compounds made by microbes, determining the role of these natural products in their environment, and applying this knowledge to advance chemical synthesis.
Applied Materials Chemistry
- Zahra Fakhraai – Dynamics of organic molecular glasses under nano-confinement. Materials such as ultrathin films of molecular, polymeric, and nano-composite glasses and effects associated with surfaces and interfaces
- Tom Mallouk – Exploring photoelectrochemistry and electrochemical energy conversion
Molecular Dynamics
- Andrew Rappe – a) Quantum mechanics of heterogeneous catalysts. b) Molecular dynamics involving materials chemistry