Kim's 'K'omputational 'K'emistry Project Area
Kims Home Page
This project area covers a variety of research projects with Kim Baldridge
as PI and in collaborative efforts with several other chemists.
Various aspects of computational chemistry are dealt with, including:
- The development of new theories of modeling complex reaction systems includ
- The creation and modification of software to carry out these computations i
ncluding the consideration of parallel architectures.
- The creation of visualization software to visual specific characteristics
of the chemistry, such as
- Molecular structure
- Vibrational motions
- 3D molecular orbitals
- 3D molecular electrostatic potentials
- The development of educational tools.
Long term goals include:
- To better understand
the structure, property and dynamics of chemical reactions, from first
- To provide any
resulting computational and educational tools to the community at large.