Matt Knepley and I have a new paper out in the open-access journal Computational Science and Discovery (IOP).
The article, “Computational science and re-discovery: open-source implementation of ellipsoidal harmonics for problems in potential theory,” represents a new direction for Matt’s and my continuing work on simple models for biomolecular electrostatics. Our previous paper addressed an analysis of boundary-integral operators on the sphere, and in this work we begin to look towards the much more general case of ellipsoids. As it turns out, implementing ellipsoidal harmonics is quite a bit trickier than implementing spherical harmonics, so we thought it would be best to double-check our work by developing TWO implementations, one in MATLAB and one in Python. Both are freely available under BSD licenses at Matt’s bitbucket site at https://bitbucket.org/knepley/ellipsoidal-potential-theory.
Incidentally, the article was submitted to CS&D’s special issue celebrating the 20th anniversary of the Department of Energy’s Computational Science Graduate Fellowship program, which is administered by the wonderful people at the Krell Institute. I was a fellow from 2002-2006, and consider it one of the greatest privileges I have been afforded in my life. Eligible young researchers in computational science and engineering (currently, that means undergraduate seniors and first-year grad students) are strongly encouraged to apply!!
One thought on “Our new paper on ellipsoidal harmonics is out!”
I will point out that upon the release on arXiv (http://arxiv.org/abs/1204.0267), we had some very insightful comments from
Jan Van lent
Lecturer in Applied Mathematics
Department of Engineering Design and Mathematics
University of the West of England
He had some good suggestions (and citations) for improving the computation.