The investigator and his colleagues organize a workshop on algorithms and parallel implementations for macromolecular dynamics, protein folding, and structure refinement, including the modeling of quantum effects. The emphasis is on numerical and algorithmic challenges to achieving dramatic gains in the performance of software for protein and polymer simulations. This workshop brings together mathematicians, computer scientists, chemists, and biologists seeking dramatic gains in the performance of software for protein and polymer simulations. Molecular dynamics has contributed to the understanding of many physical, chemical, and biological phenomena, and is now a standard tool of the pharmaceutical industry. With improvements in technology, larger and more complex biological molecules have been analyzed, but there are substantial barriers to the next phase of computer simulation: the analysis of proteins, DNA, and other polymers on millisecond time scales. These challenges can only be overcome with a strong interdisciplinary effort. The aim of this workshop is to improve the flow of ideas between disciplines and to focus on the latest breakthroughs.
