Topology is a useful tool for describing and computing spatial conformation of both large and small molecules. This talk will discuss topological methods used to discriminate between stereoisomers of small molecules, and methods used to quantify entanglement of macromolecules. The mathematical methods include Monte Carlo simulation, analytic proofs, and hybrids of proof and simulation. Applications to synthetic polymers (polyethylene) and biopolymers (DNA) will be discussed.

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1996-1997 Mathematics in High Performance Computing