Conformation and potential energy surfaces of isolated and solvated non-rigid molecules, nucleation, growth, and structure of van der Waals clusters in the gas phase, energy dynamics and chemical reaction in van der Waals clusters, spectroscopy of reactive intermediates, metal oxide cluster catalysis
Develop computational catalyst design and apply computational tools to both enzymatic and catalytic conversion processes of sustainable chemicals and polymers from plants (biomass) for a new bio-energy infrastructure. Mechanism-driven discovery of biopolymer upgrading and material design via molecular and quantum mechanics. Machine learning approach in catalyst design, and (bio)fuel and chemical property prediction tool kit development.
Dynamics of molecules and chemistry in the condensed phase, especially molecular assemblies, molecules in confined environments. Fundamental properties and processes governing cryopreservation.
Prof. Menoni’s research bridges from material to optical sciences. She is engaged in the growth and characterization of high bandgap oxide materials for the engineering of interference coatings for high power lasers. She is also actively involved in using bright coherent beams of light of wavelengths between 10-50 nm for optics applications such as imaging and ablation.
Dr. Prasad's research is at the interface of the physical sciences and engineering with biology, using mathematical and computational methods as well as experiments. He teaches Transport Phenomena for Chemical Engineers (CBE 503) as well as a course in modeling methods in Systems and Synthetic Biology (BIOM 422).
Theoretical characterization of reaction mechanisms in homogeneous and heterogeneous catalysis, new electronic structure techniques, development of force fields or model potentials for chemical reactivity studies.
Atmospheric chemistry via studies in gas phase kinetics and photochemistry, heterogeneous chemistry, atmospheric field observations, and analyses of modeling results; Furthering understanding of the earth’s atmosphere, diagnosing, understanding of, and providing solutions to environmental issues of the stratospheric ozone depletion, air quality, and climate change; Provide new insights into gas phase chemical reactions, reactions on surfaces and in liquids, and photochemical processes; Developing new experimental methods both for laboratory studies and atmospheric measurements.
Computational design, simulation, and experimental validation of new enzymes, and crystalline biomolecular assemblies. We convert porous protein crystals into “3D molecular pegboards” for the controlled assembly of nanoparticles, enzymes, fluorescent proteins, oligonucleotides, and other functional molecules.