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.
Month: September 2012
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.