Courses

Offering of courses related to biomolecular modeling, parallelism, and numerical methods cross-listed with science departments as well as the organization of a series of workshops in computational biology will be pursued. I have already offered a course on computational methods on biomolecular modeling []. The course covered mathematical, computational, and scientific applications of biomolecular modeling. The enrollment was about half computer science and engineering students and half students of physical sciences, including chemistry, physics, and biology, at both the graduate and senior undergraduate level. The students developed ambitious research projects, three of which have led to conference presentations, and one will become a journal publication [8,78,,156]. These papers are available as class proceedings in []. I intend to expand this class to include more hands-on training for setting simulations for real applications. The collaborations described in this proposal will provide a wealth of possibilities for examples and lab exercises. Another example of the influence of a computational science approach to curriculum development is the core graduate course on scientific computing and numerical methods that I will be offering this Fall. It will include significant examples of applications where all numerical methods considered are used, along with challenges and opportunities for research in those areas. Computational science has influenced even a data structures course for juniors that I taught last Fall. Some of the students performed significant MD simulations using a novel approach, computing forces directly using topological information about the molecule.