Ask HN: retraining for "computational science" and modeling?

For the past 10 years I have been building what I call "infrastructure" software. A mixture of systems level software, web software, sysadmin scripts. If I were to get a job at Google, my title would likely be "SRE." I would like to stop doing this.

I have a math degree, and I would like to move into a more analytical role, where I use programming to find the answers to complicated questions. What books and online resources (iTunes courses, web sites, etc) are most useful for learning more about how to do this? Right now I'm looking at "the nature of mathematical modeling" by Neil Gershenfeld, and Numerical Recipes in C. Any other advice?