Faculty with a focus in Computational Chemistry
Computational Chemistry is the application of the fundamental theories of physics that describe the attractive and repulsive forces acting between atoms and molecules, to chemical and biological problems. Because of the large number of attractive and repulsive forces acting in even the smallest chemical systems, solutions to these problems require powerful computer hardware and software.
Computational chemists may work on simple molecular systems, such as the calculation of the magnitude and shape of the barrier to rotation around the C-C bond in ethane, or on much more complicated problems, such as the structure of a drug-protein complex, or a protein-DNA complex.
Faculty with a focus in Computational Chemistry include the following (explanation of the symbols, *, §, ‡ are listed below):
Preston B. Moore, Ph.D. ‡
- Molecular Interactions within Biological Systems
- Computational Chemistry
- Molecular Dynamics Simulations
Guillermo Moyna, Ph.D. ‡
- Biomolecular NMR spectroscopy
- Computational chemistry
- Computer-assisted rational drug design
Research Advising Ability
||May serve as a research advisor for undergraduate students
||Research Professors from other departments who may serve as research advisors for graduate students in their appropriate area of expertise
||May serve as a research advisor for both undergraduate and graduate students