Florida State   /   Research   /   Faculty

Computational Chemistry Faculty

Areas: Organic, Materials
Specialties: Synthesis and Catalysis, Computational Chemistry, Environment and Energy, Photochemistry and Spectroscopy

The Alabugin research group focuses on the discovery of new chemical reactions, synthesis of unusual molecules, and stereoelectronic connections between structure and reactivity.

Areas: Analytical, Physical
Specialties: Bioanalytical, Computational Chemistry, Structural Biology

Our research focuses on determining the structures and interactions of macromolecules by ion mobility / mass spectrometry.

Areas: Physical
Specialties: Computational Chemistry

The DePrince group develops theories and algorithms for high-accuracy quantum chemical simulations.

Areas: Inorganic, Materials, Physical
Specialties: Computational Chemistry, Environment and Energy, Solid State Chemistry, Synthesis and Catalysis

The Ouyang research group develops and applies data-driven approaches to design and understand materials for energy storage and conversion.

Areas: Physical, Materials, Analytical
Specialties: Solid State Chemistry, Computational Chemistry, Photochemistry and Spectroscopy

Solid-state NMR of the periodic table, diffraction methods, and quantum chemical computations to study numerous materials, like pharmaceuticals, nanoparticles, porous solids, and catalysts.

Areas: Physical, Materials
Specialties: Computational Chemistry, Spectroscopy and Photochemistry

We explore chemical self-organization at the mesoscale, materials synthesis far from the thermodynamic equilibrium, hierarchically ordered matter, and prebiotic chemistry.

Areas: Biochemistry
Specialties: Bioanalytical, Chemical Biology, Computational Chemistry, Structural Biology

Our research interest is in the development and application of state-of-art multi-spectrum atomistic simulation techniques to understand the hidden nature of complex biological phenomena.