A great article on computational science: “The Research Software Engineer”

Many thanks to Dirk Gorissen for publicizing a thoughtful article on computational science, that he co-wrote with fellow attendees to a workshop on software development in research: “The Research Software Engineer.”  Go read it.

Our new paper on asymmetric solvation is out!

Pavel Jungwirth, Lee Makowski, and I have a new paper out in The Journal of Chemical Physics: “Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies.”  This paper was a whole lot of fun to think about, work on, and write.  Please e-mail me if you’d like more information on the simulations, or do not have access to the article.